 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer02_STD_B3LYPDBJ_def2SVPD.in
 Output=31_naproxen_conformer02_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/31_conformer02/Gau-22269.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/31_conformer02/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     22273.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                17-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer02_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Tue Aug 17 18:12:58 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer02_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.615023000000      0.729781000000     -0.120185000000
  C                                                 1.174818000000     -0.568179000000     -0.283542000000
  C                                                -0.780302000000      0.906987000000     -0.261681000000
  C                                                -1.617220000000     -0.146278000000     -0.555082000000
  C                                                -1.047135000000     -1.433774000000     -0.715027000000
  C                                                 0.299785000000     -1.638621000000     -0.586238000000
  C                                                 1.486810000000      1.806637000000      0.177553000000
  H                                                -1.178331000000      1.906903000000     -0.143779000000
  H                                                -1.698736000000     -2.268417000000     -0.944366000000
  H                                                 0.712660000000     -2.631458000000     -0.716974000000
  C                                                -3.119636000000     -0.001144000000     -0.656452000000
  C                                                -3.609136000000      1.393587000000     -1.071585000000
  C                                                -3.848641000000     -0.385756000000      0.641287000000
  H                                                -3.484147000000     -0.716442000000     -1.395606000000
  H                                                -3.143214000000      1.693230000000     -2.010455000000
  H                                                -3.376132000000      2.146319000000     -0.317339000000
  H                                                -4.689812000000      1.377587000000     -1.202459000000
  O                                                -4.992051000000     -0.744475000000      0.660385000000
  O                                                -3.149570000000     -0.248062000000      1.788254000000
  H                                                -2.231771000000     -0.009601000000      1.581011000000
  C                                                 2.830377000000      1.609633000000      0.308486000000
  C                                                 3.384420000000      0.315464000000      0.146592000000
  C                                                 2.571198000000     -0.754342000000     -0.144922000000
  O                                                 4.730828000000      0.251048000000      0.301729000000
  C                                                 5.361258000000     -1.010989000000      0.156412000000
  H                                                 1.070645000000      2.798805000000      0.302176000000
  H                                                 3.502511000000      2.425784000000      0.536445000000
  H                                                 2.973183000000     -1.748599000000     -0.273266000000
  H                                                 6.421812000000     -0.837666000000      0.319337000000
  H                                                 5.207672000000     -1.416612000000     -0.847613000000
  H                                                 4.990297000000     -1.725949000000      0.896247000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Tue Aug 17 18:12:59 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.615023    0.729781   -0.120185
      2          6           0        1.174818   -0.568179   -0.283542
      3          6           0       -0.780302    0.906987   -0.261681
      4          6           0       -1.617220   -0.146278   -0.555082
      5          6           0       -1.047135   -1.433774   -0.715027
      6          6           0        0.299785   -1.638621   -0.586238
      7          6           0        1.486810    1.806637    0.177553
      8          1           0       -1.178331    1.906903   -0.143779
      9          1           0       -1.698736   -2.268417   -0.944366
     10          1           0        0.712660   -2.631458   -0.716974
     11          6           0       -3.119636   -0.001144   -0.656452
     12          6           0       -3.609136    1.393587   -1.071585
     13          6           0       -3.848641   -0.385756    0.641287
     14          1           0       -3.484147   -0.716442   -1.395606
     15          1           0       -3.143214    1.693230   -2.010455
     16          1           0       -3.376132    2.146319   -0.317339
     17          1           0       -4.689812    1.377587   -1.202459
     18          8           0       -4.992051   -0.744475    0.660385
     19          8           0       -3.149570   -0.248062    1.788254
     20          1           0       -2.231771   -0.009601    1.581011
     21          6           0        2.830377    1.609633    0.308486
     22          6           0        3.384420    0.315464    0.146592
     23          6           0        2.571198   -0.754342   -0.144922
     24          8           0        4.730828    0.251048    0.301729
     25          6           0        5.361258   -1.010989    0.156412
     26          1           0        1.070645    2.798805    0.302176
     27          1           0        3.502511    2.425784    0.536445
     28          1           0        2.973183   -1.748599   -0.273266
     29          1           0        6.421812   -0.837666    0.319337
     30          1           0        5.207672   -1.416612   -0.847613
     31          1           0        4.990297   -1.725949    0.896247
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.422939   0.000000
     3  C    1.413632   2.449303   0.000000
     4  C    2.437114   2.836761   1.376911   0.000000
     5  C    2.792414   2.423326   2.399142   1.417119   0.000000
     6  C    2.434319   1.415328   2.784249   2.429602   1.368482
     7  C    1.417138   2.439200   2.478325   3.739737   4.209256
     8  H    2.145295   3.418022   1.082663   2.139473   3.391705
     9  H    3.875816   3.403647   3.375318   2.159088   1.083425
    10  H    3.415204   2.158373   3.867405   3.410377   2.128692
    11  C    3.843112   4.347750   2.540281   1.512810   2.520143
    12  C    4.380562   5.230273   2.982453   2.570153   3.832095
    13  C    4.663535   5.111138   3.449817   2.543204   3.284260
    14  H    4.530061   4.792142   3.351430   2.125320   2.629977
    15  H    4.315750   5.171228   3.042982   2.798313   3.981185
    16  H    4.239666   5.299131   2.877043   2.899361   4.289458
    17  H    5.452728   6.246943   4.048555   3.490284   4.627141
    18  O    5.849957   6.241182   4.616965   3.636576   4.234295
    19  O    4.332491   4.805741   3.339132   2.801728   3.477436
    20  H    3.397792   3.923444   2.518414   2.226937   2.950156
    21  C    2.421919   2.798971   3.722339   4.859022   5.034382
    22  C    2.812897   2.418301   4.226286   5.071682   4.841580
    23  C    2.455576   1.415539   3.742486   4.252155   3.725450
    24  O    4.164979   3.695792   5.578552   6.417921   6.103874
    25  C    5.062957   4.232720   6.447650   7.067751   6.481177
    26  H    2.160287   3.419137   2.706088   4.078360   4.840911
    27  H    3.412503   3.879993   4.613701   5.832545   6.096036
    28  H    3.424430   2.151189   4.597926   4.870180   4.056750
    29  H    6.030661   5.288387   7.433158   8.115951   7.563757
    30  H    5.121385   4.159558   6.449671   6.948271   6.256236
    31  H    5.119254   4.158150   6.447710   6.947014   6.255570
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.723199   0.000000
     8  H    3.866696   2.686314   0.000000
     9  H    2.125790   5.292681   4.283113   0.000000
    10  H    1.083182   4.593057   4.949861   2.449150   0.000000
    11  C    3.791926   5.018265   2.769863   2.691167   4.648517
    12  C    4.970866   5.263043   2.652005   4.132322   5.916473
    13  C    4.503990   5.786940   3.605991   3.268149   5.262463
    14  H    3.977893   5.792337   3.710229   2.408306   4.662726
    15  H    4.998386   5.122242   2.718621   4.349449   5.936648
    16  H    5.283034   4.899848   2.217605   4.764107   6.301197
    17  H    5.862876   6.343436   3.705601   4.722975   6.744986
    18  O    5.509727   6.979752   4.713910   3.967814   6.164540
    19  O    4.412473   5.320918   3.501772   3.695127   5.183972
    20  H    3.709373   4.369927   2.785251   3.429855   4.563392
    21  C    4.213737   1.364231   4.045078   6.092764   4.850067
    22  C    3.724307   2.413603   4.841042   5.805610   4.070430
    23  C    2.477100   2.799732   4.597955   4.600421   2.702771
    24  O    4.898314   3.599851   6.152926   7.017104   5.048987
    25  C    5.154024   4.790700   7.167317   7.255091   4.999819
    26  H    4.590670   1.083107   2.460134   5.907629   5.536657
    27  H    5.295022   2.138971   4.758385   7.161096   5.910163
    28  H    2.693901   3.879722   5.533040   4.748412   2.467039
    29  H    6.240257   5.600597   8.093782   8.341900   6.073388
    30  H    4.919854   5.028431   7.233406   6.959411   4.658117
    31  H    4.919989   5.026938   7.234033   6.958828   4.660537
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.535324   0.000000
    13  C    1.537368   2.481402   0.000000
    14  H    1.091269   2.138419   2.095505   0.000000
    15  H    2.169051   1.090113   3.442607   2.510138   0.000000
    16  H    2.189152   1.090772   2.748387   3.061001   1.768101
    17  H    2.159740   1.088689   2.686326   2.424024   1.773261
    18  O    2.406769   3.079526   1.198512   2.549835   4.061279
    19  O    2.457326   3.329398   1.350257   3.235473   4.266010
    20  H    2.407201   3.301869   1.907575   3.305801   4.077866
    21  C    6.239260   6.589279   6.978654   6.941741   6.408453
    22  C    6.561087   7.180260   7.283791   7.114803   7.011497
    23  C    5.763208   6.608240   6.478296   6.183272   6.490403
    24  O    7.912743   8.529149   8.609768   8.444098   8.332264
    25  C    8.579400   9.367920   9.243823   8.985361   9.183363
    26  H    5.130023   5.075648   5.869906   5.998796   4.932258
    27  H    7.153028   7.363879   7.871162   7.900620   7.154649
    28  H    6.350029   7.337409   7.016483   6.634916   7.230099
    29  H    9.627625  10.369815  10.285430  10.054041  10.164796
    30  H    8.448914   9.256537   9.235599   8.737176   8.986691
    31  H    8.435451   9.357036   8.943598   8.836736   9.289440
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.760722   0.000000
    18  O    3.453090   2.839839   0.000000
    19  O    3.196547   3.736234   2.216585   0.000000
    20  H    3.092133   3.964084   3.001123   0.970654   0.000000
    21  C    6.261026   7.673985   8.176554   6.434323   5.465033
    22  C    7.019425   8.254772   8.458884   6.760595   5.805586
    23  C    6.619237   7.641058   7.606008   6.059759   5.157712
    24  O    8.348539   9.606255   9.780290   8.034895   7.083946
    25  C    9.302420  10.419973  10.368993   8.699377   7.790144
    26  H    4.536889   6.121001   7.031318   5.413136   4.519791
    27  H    6.937058   8.440181   9.067717   7.277820   6.316978
    28  H    7.448901   8.328141   8.082383   6.632464   5.792582
    29  H   10.262029  11.432034  11.419337   9.701376   8.784191
    30  H    9.308993  10.290464  10.332482   8.840633   7.951302
    31  H    9.298623  10.379837  10.033254   8.320893   7.454731
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.417056   0.000000
    23  C    2.420977   1.375062   0.000000
    24  O    2.336132   1.356846   2.423697   0.000000
    25  C    3.646388   2.380643   2.817997   1.418202   0.000000
    26  H    2.123871   3.397756   3.882835   4.459597   5.739785
    27  H    1.081588   2.149275   3.383017   2.508651   3.925656
    28  H    3.411239   2.146102   1.080098   2.723697   2.536059
    29  H    4.346009   3.253506   3.879395   2.011227   1.086904
    30  H    4.018240   2.704215   2.807734   2.080735   1.093702
    31  H    4.017067   2.703367   2.807150   2.080695   1.093680
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.471437   0.000000
    28  H    4.962829   4.285008   0.000000
    29  H    6.469869   4.384012   3.615801   0.000000
    30  H    6.017204   4.425743   2.330886   1.780755   0.000000
    31  H    6.015812   4.424913   2.331742   1.780760   1.784374
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.80D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.615023    0.729781   -0.120185
      2          6           0        1.174818   -0.568179   -0.283542
      3          6           0       -0.780302    0.906987   -0.261681
      4          6           0       -1.617220   -0.146278   -0.555082
      5          6           0       -1.047135   -1.433774   -0.715027
      6          6           0        0.299785   -1.638621   -0.586238
      7          6           0        1.486810    1.806637    0.177553
      8          1           0       -1.178331    1.906903   -0.143779
      9          1           0       -1.698736   -2.268417   -0.944366
     10          1           0        0.712660   -2.631458   -0.716974
     11          6           0       -3.119636   -0.001144   -0.656452
     12          6           0       -3.609136    1.393587   -1.071585
     13          6           0       -3.848641   -0.385756    0.641287
     14          1           0       -3.484147   -0.716442   -1.395606
     15          1           0       -3.143214    1.693230   -2.010455
     16          1           0       -3.376132    2.146319   -0.317339
     17          1           0       -4.689812    1.377587   -1.202459
     18          8           0       -4.992051   -0.744475    0.660385
     19          8           0       -3.149570   -0.248062    1.788254
     20          1           0       -2.231771   -0.009601    1.581011
     21          6           0        2.830377    1.609633    0.308486
     22          6           0        3.384420    0.315464    0.146592
     23          6           0        2.571198   -0.754342   -0.144922
     24          8           0        4.730828    0.251048    0.301729
     25          6           0        5.361258   -1.010989    0.156412
     26          1           0        1.070645    2.798805    0.302176
     27          1           0        3.502511    2.425784    0.536445
     28          1           0        2.973183   -1.748599   -0.273266
     29          1           0        6.421812   -0.837666    0.319337
     30          1           0        5.207672   -1.416612   -0.847613
     31          1           0        4.990297   -1.725949    0.896247
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3776815           0.2086420           0.1975031
 Leave Link  202 at Tue Aug 17 18:12:59 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   461 symmetry adapted basis functions of A   symmetry.
   461 basis functions,   693 primitive gaussians,   495 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1136.4081582636 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0646304060 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1136.3435278576 Hartrees.
 Leave Link  301 at Tue Aug 17 18:13:00 2021, MaxMem=  5368709120 cpu:               6.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   461 RedAO= T EigKep=  4.34D-06  NBF=   461
 NBsUse=   461 1.00D-06 EigRej= -1.00D+00 NBFU=   461
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   493   493   493   493   493 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Tue Aug 17 18:13:01 2021, MaxMem=  5368709120 cpu:               7.1 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Tue Aug 17 18:13:02 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer02_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Tue Aug 17 18:13:03 2021, MaxMem=  5368709120 cpu:               8.1 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368210351 LenY=  5367964831
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 910000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.155284512767    
 DIIS: error= 2.78D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.155284512767     IErMin= 1 ErrMin= 2.78D-03
 ErrMax= 2.78D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-02 BMatP= 1.35D-02
 IDIUse=3 WtCom= 9.72D-01 WtEn= 2.78D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.169 Goal=   None    Shift=    0.000
 GapD=    0.169 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.52D-02 MaxDP=6.71D-01              OVMax= 1.60D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.33D-02    CP:  1.22D+00
 E= -767.166785409331     Delta-E=       -0.011500896564 Rises=F Damp=F
 DIIS: error= 6.69D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.166785409331     IErMin= 2 ErrMin= 6.69D-04
 ErrMax= 6.69D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.62D-04 BMatP= 1.35D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.69D-03
 Coeff-Com:  0.604D-01 0.940D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.600D-01 0.940D+00
 Gap=     0.171 Goal=   None    Shift=    0.000
 RMSDP=7.44D-04 MaxDP=4.05D-02 DE=-1.15D-02 OVMax= 8.79D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.04D-04    CP:  1.23D+00  1.04D+00
 E= -767.166357496021     Delta-E=        0.000427913310 Rises=F Damp=F
 DIIS: error= 1.07D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -767.166785409331     IErMin= 2 ErrMin= 6.69D-04
 ErrMax= 1.07D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-03 BMatP= 6.62D-04
 IDIUse=3 WtCom= 2.34D-01 WtEn= 7.66D-01
 Coeff-Com: -0.149D-01 0.590D+00 0.425D+00
 Coeff-En:   0.000D+00 0.628D+00 0.372D+00
 Coeff:     -0.348D-02 0.619D+00 0.385D+00
 Gap=     0.170 Goal=   None    Shift=    0.000
 RMSDP=1.46D-04 MaxDP=5.73D-03 DE= 4.28D-04 OVMax= 5.83D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.12D-04    CP:  1.23D+00  1.04D+00  7.16D-01
 E= -767.167294392359     Delta-E=       -0.000936896338 Rises=F Damp=F
 DIIS: error= 1.13D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.167294392359     IErMin= 4 ErrMin= 1.13D-04
 ErrMax= 1.13D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.15D-05 BMatP= 6.62D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.13D-03
 Coeff-Com: -0.105D-01 0.301D+00 0.203D+00 0.507D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.105D-01 0.300D+00 0.203D+00 0.508D+00
 Gap=     0.169 Goal=   None    Shift=    0.000
 RMSDP=6.31D-05 MaxDP=2.62D-03 DE=-9.37D-04 OVMax= 1.57D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.22D-05    CP:  1.23D+00  1.04D+00  6.62D-01  7.81D-01
 E= -767.167314395749     Delta-E=       -0.000020003390 Rises=F Damp=F
 DIIS: error= 2.97D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.167314395749     IErMin= 5 ErrMin= 2.97D-05
 ErrMax= 2.97D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.30D-06 BMatP= 2.15D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.435D-02 0.104D+00 0.698D-01 0.270D+00 0.561D+00
 Coeff:     -0.435D-02 0.104D+00 0.698D-01 0.270D+00 0.561D+00
 Gap=     0.169 Goal=   None    Shift=    0.000
 RMSDP=1.66D-05 MaxDP=9.99D-04 DE=-2.00D-05 OVMax= 5.88D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.28D-05    CP:  1.23D+00  1.04D+00  6.65D-01  8.10D-01  8.18D-01
 E= -767.167315949396     Delta-E=       -0.000001553647 Rises=F Damp=F
 DIIS: error= 2.10D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.167315949396     IErMin= 6 ErrMin= 2.10D-05
 ErrMax= 2.10D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.52D-07 BMatP= 2.30D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.772D-03 0.854D-02 0.656D-02 0.727D-01 0.373D+00 0.540D+00
 Coeff:     -0.772D-03 0.854D-02 0.656D-02 0.727D-01 0.373D+00 0.540D+00
 Gap=     0.169 Goal=   None    Shift=    0.000
 RMSDP=6.73D-06 MaxDP=3.50D-04 DE=-1.55D-06 OVMax= 2.14D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.19D-06    CP:  1.23D+00  1.04D+00  6.71D-01  8.06D-01  8.18D-01
                    CP:  7.11D-01
 E= -767.167316511702     Delta-E=       -0.000000562307 Rises=F Damp=F
 DIIS: error= 4.69D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.167316511702     IErMin= 7 ErrMin= 4.69D-06
 ErrMax= 4.69D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.39D-08 BMatP= 6.52D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.169D-03-0.699D-03-0.117D-03 0.226D-01 0.158D+00 0.272D+00
 Coeff-Com:  0.548D+00
 Coeff:     -0.169D-03-0.699D-03-0.117D-03 0.226D-01 0.158D+00 0.272D+00
 Coeff:      0.548D+00
 Gap=     0.169 Goal=   None    Shift=    0.000
 RMSDP=1.52D-06 MaxDP=4.35D-05 DE=-5.62D-07 OVMax= 5.66D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.08D-06    CP:  1.23D+00  1.04D+00  6.71D-01  8.04D-01  8.33D-01
                    CP:  6.83D-01  8.44D-01
 E= -767.167316526980     Delta-E=       -0.000000015278 Rises=F Damp=F
 DIIS: error= 2.36D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.167316526980     IErMin= 8 ErrMin= 2.36D-06
 ErrMax= 2.36D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.96D-09 BMatP= 2.39D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.418D-05-0.168D-02-0.107D-02 0.342D-02 0.447D-01 0.924D-01
 Coeff-Com:  0.360D+00 0.502D+00
 Coeff:      0.418D-05-0.168D-02-0.107D-02 0.342D-02 0.447D-01 0.924D-01
 Coeff:      0.360D+00 0.502D+00
 Gap=     0.169 Goal=   None    Shift=    0.000
 RMSDP=7.48D-07 MaxDP=3.50D-05 DE=-1.53D-08 OVMax= 2.85D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.87D-07    CP:  1.23D+00  1.04D+00  6.71D-01  8.07D-01  8.32D-01
                    CP:  7.00D-01  8.01D-01  6.93D-01
 E= -767.167316532199     Delta-E=       -0.000000005219 Rises=F Damp=F
 DIIS: error= 4.19D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.167316532199     IErMin= 9 ErrMin= 4.19D-07
 ErrMax= 4.19D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.01D-10 BMatP= 5.96D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.156D-04-0.869D-03-0.573D-03 0.435D-04 0.125D-01 0.291D-01
 Coeff-Com:  0.155D+00 0.270D+00 0.536D+00
 Coeff:      0.156D-04-0.869D-03-0.573D-03 0.435D-04 0.125D-01 0.291D-01
 Coeff:      0.155D+00 0.270D+00 0.536D+00
 Gap=     0.169 Goal=   None    Shift=    0.000
 RMSDP=2.42D-07 MaxDP=8.45D-06 DE=-5.22D-09 OVMax= 6.81D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.55D-07    CP:  1.23D+00  1.04D+00  6.71D-01  8.07D-01  8.32D-01
                    CP:  6.97D-01  8.16D-01  6.90D-01  7.23D-01
 E= -767.167316532532     Delta-E=       -0.000000000333 Rises=F Damp=F
 DIIS: error= 1.45D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -767.167316532532     IErMin=10 ErrMin= 1.45D-07
 ErrMax= 1.45D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.40D-11 BMatP= 3.01D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.781D-05-0.237D-03-0.158D-03-0.530D-03 0.508D-03 0.257D-02
 Coeff-Com:  0.362D-01 0.778D-01 0.291D+00 0.593D+00
 Coeff:      0.781D-05-0.237D-03-0.158D-03-0.530D-03 0.508D-03 0.257D-02
 Coeff:      0.362D-01 0.778D-01 0.291D+00 0.593D+00
 Gap=     0.169 Goal=   None    Shift=    0.000
 RMSDP=7.28D-08 MaxDP=3.03D-06 DE=-3.33D-10 OVMax= 1.86D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.11D-08    CP:  1.23D+00  1.04D+00  6.71D-01  8.07D-01  8.32D-01
                    CP:  6.98D-01  8.18D-01  6.84D-01  7.48D-01  7.27D-01
 E= -767.167316532496     Delta-E=        0.000000000036 Rises=F Damp=F
 DIIS: error= 3.43D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -767.167316532532     IErMin=11 ErrMin= 3.43D-08
 ErrMax= 3.43D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.18D-12 BMatP= 3.40D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.264D-05-0.525D-04-0.343D-04-0.277D-03-0.638D-03-0.917D-03
 Coeff-Com:  0.698D-02 0.187D-01 0.106D+00 0.291D+00 0.579D+00
 Coeff:      0.264D-05-0.525D-04-0.343D-04-0.277D-03-0.638D-03-0.917D-03
 Coeff:      0.698D-02 0.187D-01 0.106D+00 0.291D+00 0.579D+00
 Gap=     0.169 Goal=   None    Shift=    0.000
 RMSDP=2.14D-08 MaxDP=7.74D-07 DE= 3.57D-11 OVMax= 5.04D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.48D-08    CP:  1.23D+00  1.04D+00  6.71D-01  8.07D-01  8.32D-01
                    CP:  6.98D-01  8.18D-01  6.91D-01  7.49D-01  7.51D-01
                    CP:  7.63D-01
 E= -767.167316532505     Delta-E=       -0.000000000009 Rises=F Damp=F
 DIIS: error= 1.09D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -767.167316532532     IErMin=12 ErrMin= 1.09D-08
 ErrMax= 1.09D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.97D-13 BMatP= 2.18D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.506D-06-0.671D-06 0.231D-06-0.868D-04-0.378D-03-0.781D-03
 Coeff-Com: -0.443D-03 0.465D-03 0.218D-01 0.819D-01 0.308D+00 0.590D+00
 Coeff:      0.506D-06-0.671D-06 0.231D-06-0.868D-04-0.378D-03-0.781D-03
 Coeff:     -0.443D-03 0.465D-03 0.218D-01 0.819D-01 0.308D+00 0.590D+00
 Gap=     0.169 Goal=   None    Shift=    0.000
 RMSDP=7.39D-09 MaxDP=3.43D-07 DE=-8.64D-12 OVMax= 2.59D-07

 SCF Done:  E(RB3LYP) =  -767.167316533     A.U. after   12 cycles
            NFock= 12  Conv=0.74D-08     -V/T= 2.0107
 KE= 7.590716405159D+02 PE=-4.055209858477D+03 EE= 1.392627373571D+03
 Leave Link  502 at Tue Aug 17 18:19:24 2021, MaxMem=  5368709120 cpu:            3035.2 elap:             380.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   461
 NBasis=   461 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    461 NOA=    61 NOB=    61 NVA=   400 NVB=   400

 **** Warning!!: The largest alpha MO coefficient is  0.56900870D+02

 Leave Link  801 at Tue Aug 17 18:19:24 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9491 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.07D-13 8.33D-09 XBig12= 1.00D+00 6.19D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.07D-13 8.33D-09 XBig12= 4.78D-01 1.81D-01.
     11 vectors produced by pass  2 Test12= 4.07D-13 8.33D-09 XBig12= 8.92D-02 8.61D-02.
     11 vectors produced by pass  3 Test12= 4.07D-13 8.33D-09 XBig12= 1.46D-02 2.89D-02.
     11 vectors produced by pass  4 Test12= 4.07D-13 8.33D-09 XBig12= 5.09D-03 2.42D-02.
     11 vectors produced by pass  5 Test12= 4.07D-13 8.33D-09 XBig12= 3.85D-04 4.54D-03.
     11 vectors produced by pass  6 Test12= 4.07D-13 8.33D-09 XBig12= 1.60D-05 4.26D-04.
     11 vectors produced by pass  7 Test12= 4.07D-13 8.33D-09 XBig12= 8.12D-07 8.92D-05.
     11 vectors produced by pass  8 Test12= 4.07D-13 8.33D-09 XBig12= 1.89D-08 1.94D-05.
     11 vectors produced by pass  9 Test12= 4.07D-13 8.33D-09 XBig12= 5.48D-10 2.89D-06.
     10 vectors produced by pass 10 Test12= 4.07D-13 8.33D-09 XBig12= 7.87D-12 3.59D-07.
      7 vectors produced by pass 11 Test12= 4.07D-13 8.33D-09 XBig12= 1.81D-13 5.07D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 9.95D-14
 Solved reduced A of dimension   127 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.308454D+03
      2  0.909803D+01  0.175250D+03
      3  0.161332D+02  0.895681D+01  0.118823D+03
 Isotropic polarizability for W=    0.088559      200.84 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.288198D+03 -0.561334D+02  0.700313D+02
      2  -0.120172D+03  0.571258D+02 -0.205319D+02
      3  -0.168026D+03 -0.992444D+00 -0.494994D+02
      4  -0.541619D+02  0.125283D+03  0.517074D+02
      5   0.353851D+01  0.549755D+02 -0.450708D+02
      6   0.210418D+02 -0.529491D+02 -0.265910D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.200230D+01 -0.301234D+02 -0.123785D+01
      2   0.694374D+02  0.210437D+02 -0.185021D+02
      3   0.454793D+02 -0.571712D+02 -0.173824D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.326809D+01 -0.324171D+02  0.166666D+01
      2   0.664928D+02  0.306656D+02  0.122955D+03
      3   0.197148D+01 -0.245455D+03 -0.339337D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.264766D+01 -0.556904D+01 -0.106056D+02
      2  -0.556904D+01 -0.236486D-01  0.360593D+01
      3  -0.106056D+02  0.360593D+01  0.303957D+01
 OR G Eigenvalues:    -8.1054    -2.3011    16.0701  Iso=    -1.8879
 Eigenvectors:
   (1)   0.741096   0.229091   0.631106
   (2)   0.088744   0.898314  -0.430298
   (3)   0.665509  -0.374899  -0.645406
 w=    0.088559 a.u., Optical Rotation Beta=     -1.8879 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =     -415.74 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  106491 ScalPx= 6.52D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.43D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.78D-14 2.78D-09 XBig12= 1.00D+00 5.10D-01.
     30 vectors produced by pass  1 Test12= 6.78D-14 2.78D-09 XBig12= 8.75D-02 1.09D-01.
     30 vectors produced by pass  2 Test12= 6.78D-14 2.78D-09 XBig12= 3.76D-03 2.00D-02.
     30 vectors produced by pass  3 Test12= 6.78D-14 2.78D-09 XBig12= 1.54D-04 1.47D-03.
     30 vectors produced by pass  4 Test12= 6.78D-14 2.78D-09 XBig12= 3.91D-06 2.65D-04.
     30 vectors produced by pass  5 Test12= 6.78D-14 2.78D-09 XBig12= 4.61D-08 2.47D-05.
     30 vectors produced by pass  6 Test12= 6.78D-14 2.78D-09 XBig12= 4.36D-10 1.94D-06.
     30 vectors produced by pass  7 Test12= 6.78D-14 2.78D-09 XBig12= 2.89D-12 1.70D-07.
      6 vectors produced by pass  8 Test12= 6.78D-14 2.78D-09 XBig12= 1.09D-14 9.27D-09.
      3 vectors produced by pass  9 Test12= 6.78D-14 2.78D-09 XBig12= 1.31D-14 6.86D-09.
      3 vectors produced by pass 10 Test12= 6.78D-14 2.78D-09 XBig12= 5.74D-14 1.43D-08.
      3 vectors produced by pass 11 Test12= 6.78D-14 2.78D-09 XBig12= 2.84D-14 1.37D-08.
      3 vectors produced by pass 12 Test12= 6.78D-14 2.78D-09 XBig12= 3.50D-14 1.24D-08.
      3 vectors produced by pass 13 Test12= 6.78D-14 2.78D-09 XBig12= 4.15D-14 1.74D-08.
      3 vectors produced by pass 14 Test12= 6.78D-14 2.78D-09 XBig12= 1.48D-14 6.84D-09.
      3 vectors produced by pass 15 Test12= 6.78D-14 2.78D-09 XBig12= 1.39D-14 6.35D-09.
      3 vectors produced by pass 16 Test12= 6.78D-14 2.78D-09 XBig12= 1.17D-14 7.41D-09.
      3 vectors produced by pass 17 Test12= 6.78D-14 2.78D-09 XBig12= 1.60D-14 9.20D-09.
      3 vectors produced by pass 18 Test12= 6.78D-14 2.78D-09 XBig12= 1.26D-14 6.86D-09.
      3 vectors produced by pass 19 Test12= 6.78D-14 2.78D-09 XBig12= 1.11D-14 7.08D-09.
      3 vectors produced by pass 20 Test12= 6.78D-14 2.78D-09 XBig12= 1.06D-14 7.26D-09.
      3 vectors produced by pass 21 Test12= 6.78D-14 2.78D-09 XBig12= 4.95D-15 3.83D-09.
      3 vectors produced by pass 22 Test12= 6.78D-14 2.78D-09 XBig12= 8.33D-15 5.31D-09.
      3 vectors produced by pass 23 Test12= 6.78D-14 2.78D-09 XBig12= 1.68D-14 7.86D-09.
      2 vectors produced by pass 24 Test12= 6.78D-14 2.78D-09 XBig12= 1.05D-14 6.02D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   293 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 1.88D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 1.88D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.72D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.308454D+03  0.909803D+01  0.161332D+02
      2   0.909803D+01  0.175250D+03  0.895681D+01
      3   0.161332D+02  0.895681D+01  0.118823D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.200230D+01 -0.301234D+02 -0.123785D+01
      2   0.694374D+02  0.210437D+02 -0.185021D+02
      3   0.454793D+02 -0.571712D+02 -0.173824D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.288198D+03 -0.561334D+02  0.700313D+02
      2  -0.120172D+03  0.571258D+02 -0.205319D+02
      3  -0.168026D+03 -0.992444D+00 -0.494994D+02
      4  -0.541619D+02  0.125283D+03  0.517074D+02
      5   0.353851D+01  0.549755D+02 -0.450708D+02
      6   0.210418D+02 -0.529491D+02 -0.265910D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.378618D+02 -0.351080D+01 -0.302422D+01  0.414636D+02  0.850461D+01
      2  -0.351080D+01 -0.121730D+01 -0.899360D+00  0.850461D+01  0.901544D+01
      3  -0.302422D+01 -0.899360D+00  0.314789D-01  0.561863D+01  0.230217D+01
                 6             7             8             9            10 
      1   0.561863D+01  0.391705D+01  0.123716D+01 -0.379217D+00  0.421038D+02
      2   0.230217D+01  0.123716D+01  0.108365D+01  0.139754D+01  0.490359D+01
      3   0.593132D+00 -0.379217D+00  0.139754D+01  0.498516D+00  0.368394D+01
                11            12            13            14            15 
      1   0.490359D+01  0.368394D+01 -0.412231D+02 -0.764850D+01 -0.564521D+01
      2   0.437867D+01  0.101607D+01 -0.764850D+01 -0.770651D+01 -0.238603D+01
      3   0.101607D+01  0.223441D+00 -0.564521D+01 -0.238603D+01 -0.594119D+00
                16            17            18            19            20 
      1  -0.203632D+01 -0.833055D+00  0.802235D+00  0.427866D+02  0.556146D+01
      2  -0.833055D+00 -0.478099D+00 -0.119604D+01  0.556146D+01  0.417108D+01
      3   0.802235D+00 -0.119604D+01 -0.410765D+00  0.304761D+01  0.872458D+00
                21            22            23            24            25 
      1   0.304761D+01  0.251904D+02  0.257613D+01  0.629683D+00  0.107792D+02
      2   0.872458D+00  0.257613D+01  0.439804D+01  0.199416D+00  0.223509D+00
      3   0.461044D+00  0.629683D+00  0.199416D+00  0.227614D+01 -0.117481D+01
                26            27            28            29            30 
      1   0.223509D+00 -0.117481D+01 -0.562680D+02 -0.529075D+01 -0.705493D+00
      2   0.646222D-01  0.352104D+01 -0.529075D+01 -0.314946D+01 -0.342066D+00
      3   0.352104D+01  0.103952D+01 -0.705493D+00 -0.342066D+00 -0.211567D+01
                31            32            33            34            35 
      1  -0.118417D+02 -0.962886D+00  0.608418D+00 -0.634019D+01  0.394272D+00
      2  -0.962886D+00 -0.838634D+01 -0.217193D+01  0.394272D+00 -0.223325D+01
      3   0.608418D+00 -0.217193D+01 -0.739941D+00 -0.629646D+01 -0.124280D+01
                36            37            38            39            40 
      1  -0.629646D+01 -0.450308D+01 -0.302337D+00 -0.466994D+00 -0.110708D+02
      2  -0.124280D+01 -0.302337D+00 -0.929203D+01 -0.164422D+01 -0.191445D+01
      3  -0.174656D+01 -0.466994D+00 -0.164422D+01 -0.191441D+01  0.543883D+00
                41            42            43            44            45 
      1  -0.191445D+01  0.543883D+00 -0.202228D+01  0.111818D+01 -0.425869D+01
      2   0.270580D+01  0.134011D+01  0.111818D+01  0.249898D-01 -0.258663D+01
      3   0.134011D+01 -0.624127D+00 -0.425869D+01 -0.258663D+01 -0.302606D+01
                46            47            48            49            50 
      1   0.814248D+01  0.170979D+01  0.177179D+01 -0.210670D+01 -0.177083D+01
      2   0.170979D+01  0.649154D+01  0.236032D+01 -0.177083D+01 -0.215393D+00
      3   0.177179D+01  0.236032D+01  0.223963D+01 -0.453603D+00  0.837428D+00
                51            52            53            54            55 
      1  -0.453603D+00  0.416449D+00  0.284712D+00  0.150097D+01 -0.115510D+02
      2   0.837428D+00  0.284712D+00  0.234787D+01 -0.346288D+01 -0.421773D+01
      3  -0.100758D+01  0.150097D+01 -0.346288D+01 -0.126172D+01 -0.204290D+01
                56            57            58            59            60 
      1  -0.421773D+01 -0.204290D+01 -0.443028D+00  0.101393D+01 -0.628391D-01
      2  -0.950504D+01 -0.207815D+01  0.101393D+01 -0.377752D+00 -0.854252D+00
      3  -0.207815D+01 -0.208366D+01 -0.628391D-01 -0.854252D+00  0.108374D+01
                61            62            63            64            65 
      1  -0.136788D+01 -0.571318D+00 -0.155481D+01 -0.182514D+01  0.232517D+01
      2  -0.571318D+00 -0.271193D+01  0.341919D+01  0.232517D+01 -0.135758D+01
      3  -0.155481D+01  0.341919D+01  0.771171D+00 -0.107904D+00  0.156844D+00
                66            67            68            69            70 
      1  -0.107904D+00  0.323687D+01 -0.316628D+01 -0.856292D-01 -0.424844D+00
      2   0.156844D+00 -0.316628D+01  0.609487D+01  0.255907D+00 -0.129925D+00
      3  -0.110886D+00 -0.856292D-01  0.255907D+00  0.660328D+00  0.104641D+00
                71            72            73            74            75 
      1  -0.129925D+00  0.104641D+00 -0.509743D+01 -0.311837D+01 -0.119353D+01
      2   0.766822D+00  0.157889D+00 -0.311837D+01 -0.314290D+01 -0.931403D+00
      3   0.157889D+00  0.436464D-01 -0.119353D+01 -0.931403D+00 -0.707043D+00
                76            77            78            79            80 
      1  -0.363305D+01 -0.430144D+01 -0.128111D+01 -0.147328D+01 -0.122805D+01
      2  -0.430144D+01 -0.624614D+01 -0.161634D+01 -0.122805D+01 -0.137321D+01
      3  -0.128111D+01 -0.161634D+01 -0.116514D+01  0.375098D-01 -0.675391D+00
                81            82            83            84            85 
      1   0.375098D-01  0.126571D+01 -0.183259D+01 -0.234466D+00 -0.924425D+00
      2  -0.675391D+00 -0.183259D+01  0.282907D+01  0.346406D+00  0.206082D+01
      3  -0.317480D+00 -0.234466D+00  0.346406D+00  0.276473D+00  0.422412D+00
                86            87            88            89            90 
      1   0.206082D+01  0.422412D+00 -0.138028D+00  0.104400D+00 -0.100190D-01
      2  -0.975449D+01 -0.151331D+01  0.104400D+00 -0.144265D+01 -0.484323D+00
      3  -0.151331D+01 -0.106977D+01 -0.100190D-01 -0.484323D+00 -0.256824D+00
                91            92            93            94            95 
      1   0.274962D+02  0.383293D+01 -0.192930D+01  0.324032D+01  0.282904D+01
      2   0.383293D+01  0.186282D+01 -0.751922D+00  0.282904D+01 -0.105009D+01
      3  -0.192930D+01 -0.751922D+00  0.303908D+01 -0.158992D+00  0.315449D+01
                96            97            98            99           100 
      1  -0.158992D+00 -0.101600D+02 -0.172144D+01  0.622521D+01  0.707858D+01
      2   0.315449D+01 -0.172144D+01  0.173220D+01  0.234311D+01 -0.731742D+00
      3   0.117314D+01  0.622521D+01  0.234311D+01 -0.151727D+00  0.185913D+01
               101           102           103           104           105 
      1  -0.731742D+00  0.185913D+01  0.325438D+01 -0.242436D+01  0.113402D+01
      2  -0.220065D+01  0.139269D+01 -0.242436D+01  0.127899D+01 -0.295754D+01
      3   0.139269D+01 -0.338457D+01  0.113402D+01 -0.295754D+01 -0.172462D+01
               106           107           108           109           110 
      1   0.249035D+01  0.125135D+01 -0.199347D+01  0.412600D+01  0.218194D+01
      2   0.125135D+01 -0.193468D+01 -0.321921D+01  0.218194D+01  0.962709D+00
      3  -0.199347D+01 -0.321921D+01  0.298543D+01 -0.322693D+00 -0.480980D+00
               111           112           113           114           115 
      1  -0.322693D+00  0.204531D+01 -0.743259D+00  0.285012D+00  0.175596D+02
      2  -0.480980D+00 -0.743259D+00  0.180146D+00 -0.225892D+00  0.199093D+01
      3  -0.808650D+00  0.285012D+00 -0.225892D+00 -0.521917D+00 -0.642075D+01
               116           117           118           119           120 
      1   0.199093D+01 -0.642075D+01 -0.320547D+01 -0.167253D+01 -0.152518D+01
      2   0.762162D+00 -0.770633D+00 -0.167253D+01 -0.985644D+00 -0.433689D+00
      3  -0.770633D+00  0.947757D-01 -0.152518D+01 -0.433689D+00 -0.156552D+01
               121           122           123           124           125 
      1  -0.616877D+01 -0.195261D+01 -0.121708D+01 -0.230361D+01 -0.526034D+00
      2  -0.195261D+01 -0.261805D+01 -0.210070D+01 -0.526034D+00 -0.199995D+01
      3  -0.121708D+01 -0.210070D+01 -0.203294D+01 -0.259652D+01 -0.186958D+01
               126           127           128           129           130 
      1  -0.259652D+01  0.869867D+00  0.254064D+00 -0.111904D+01 -0.558974D+00
      2  -0.186958D+01  0.254064D+00  0.121491D+01 -0.115361D+01  0.199472D+00
      3  -0.381747D+01 -0.111904D+01 -0.115361D+01  0.247636D+01 -0.118666D+00
               131           132           133           134           135 
      1   0.199472D+00 -0.118666D+00 -0.166536D+01  0.338029D+00  0.144905D+00
      2   0.145056D+01 -0.126178D+01  0.338029D+00 -0.205002D+01  0.289190D+01
      3  -0.126178D+01  0.176109D+01  0.144905D+00  0.289190D+01 -0.708502D+01
               136           137           138           139           140 
      1  -0.846245D-01  0.399244D+00  0.450925D+00  0.125237D+01 -0.635743D+00
      2   0.399244D+00  0.654254D+00 -0.921264D-01 -0.635743D+00  0.417904D+01
      3   0.450925D+00 -0.921264D-01  0.609671D+00 -0.881663D-01  0.157134D+01
               141           142           143           144           145 
      1  -0.881663D-01  0.148720D+01 -0.945174D+00  0.117008D+00 -0.133056D+02
      2   0.157134D+01 -0.945174D+00  0.288879D+01  0.167790D+01  0.258005D+01
      3   0.171556D+01  0.117008D+00  0.167790D+01  0.196744D+01 -0.234979D+01
               146           147           148           149           150 
      1   0.258005D+01 -0.234979D+01  0.852469D+00 -0.100027D+01 -0.895738D-01
      2  -0.154108D+01  0.608398D+00 -0.100027D+01  0.165385D+00  0.541818D-01
      3   0.608398D+00 -0.147299D+01 -0.895738D-01  0.541818D-01  0.102808D-01
               151           152           153           154           155 
      1  -0.149061D+01  0.120988D+00 -0.136775D+01 -0.190214D+02 -0.380541D+01
      2   0.120988D+00  0.792234D-01  0.538072D+00 -0.380541D+01 -0.273604D+01
      3  -0.136775D+01  0.538072D+00 -0.986480D+00  0.125708D+01  0.877357D+00
               156           157           158           159           160 
      1   0.125708D+01 -0.515111D+01 -0.472906D+01  0.220898D+00  0.194396D+01
      2   0.877357D+00 -0.472906D+01 -0.299477D+01  0.508163D+00  0.549684D+00
      3  -0.304997D+01  0.220898D+00  0.508163D+00 -0.640953D+00 -0.265924D+01
               161           162           163           164           165 
      1   0.549684D+00 -0.265924D+01 -0.165724D+02 -0.201225D+01  0.540459D+01
      2  -0.154478D+00 -0.848928D+00 -0.201225D+01  0.146768D+00  0.173667D-01
      3  -0.848928D+00  0.384292D+00  0.540459D+01  0.173667D-01 -0.134007D+01
               166           167           168           169           170 
      1  -0.451538D+01 -0.948136D-01  0.902673D+00 -0.479851D+00 -0.745358D+00
      2  -0.948136D-01  0.192125D+00  0.130657D+01 -0.745358D+00  0.466422D+00
      3   0.902673D+00  0.130657D+01 -0.314431D+00 -0.114347D+00 -0.340993D+00
               171           172           173           174           175 
      1  -0.114347D+00  0.126355D+02  0.107826D+01 -0.310630D+01  0.316693D+01
      2  -0.340993D+00  0.107826D+01  0.186582D+00 -0.172075D+00 -0.320207D-01
      3   0.684584D+01 -0.310630D+01 -0.172075D+00  0.336778D+01 -0.966930D+00
               176           177           178           179           180 
      1  -0.320207D-01 -0.966930D+00 -0.779002D+01 -0.570893D+00  0.280196D+01
      2   0.138564D+00  0.633393D+00 -0.570893D+00  0.957137D+00  0.362728D+00
      3   0.633393D+00  0.983885D+00  0.280196D+01  0.362728D+00  0.126474D+00
               181           182           183           184           185 
      1   0.118089D+02  0.187555D+01  0.932173D+00  0.787145D+01  0.527856D+00
      2   0.187555D+01  0.106481D+02  0.949147D+00  0.527856D+00 -0.394803D+01
      3   0.932173D+00  0.949147D+00  0.175739D+01 -0.633318D-01 -0.111674D+01
               186           187           188           189           190 
      1  -0.633318D-01  0.151909D+01 -0.957474D+00  0.487646D+01  0.333762D+02
      2  -0.111674D+01 -0.957474D+00 -0.570054D+00  0.306134D+01  0.242320D+01
      3   0.728118D+00  0.487646D+01  0.306134D+01  0.260190D+01  0.262880D+01
               191           192           193           194           195 
      1   0.242320D+01  0.262880D+01  0.177539D+02  0.989261D+00  0.476502D+00
      2   0.599816D+01  0.760084D+00  0.989261D+00  0.124358D+02  0.143493D+01
      3   0.760084D+00  0.292760D+01  0.476502D+00  0.143493D+01  0.630462D+00
               196           197           198           199           200 
      1   0.557194D+01 -0.869303D+00  0.705371D+01 -0.393731D+02 -0.532510D+01
      2  -0.869303D+00  0.261608D+01  0.114338D+01 -0.532510D+01 -0.734851D+01
      3   0.705371D+01  0.114338D+01  0.211970D+01 -0.420461D+01 -0.965309D+00
               201           202           203           204           205 
      1  -0.420461D+01 -0.206731D+02 -0.440957D+00 -0.192302D+01 -0.864293D+01
      2  -0.965309D+00 -0.440957D+00 -0.563209D+01  0.160545D+00 -0.305280D+00
      3  -0.320621D+00 -0.192302D+01  0.160545D+00 -0.219414D+01 -0.456023D+00
               206           207           208           209           210 
      1  -0.305280D+00 -0.456023D+00 -0.350018D+01  0.927433D+00 -0.561256D+00
      2  -0.585200D+00 -0.369763D+01  0.927433D+00 -0.235961D+01 -0.488283D+00
      3  -0.369763D+01 -0.169458D+01 -0.561256D+00 -0.488283D+00 -0.154986D+00
               211           212           213           214           215 
      1  -0.375754D+00  0.208420D+01  0.525012D+00 -0.615431D+00  0.334567D+00
      2   0.208420D+01  0.172726D+01  0.666589D+00  0.334567D+00 -0.168015D+00
      3   0.525012D+00  0.666589D+00 -0.924368D+00  0.500784D+00  0.532235D+00
               216           217           218           219           220 
      1   0.500784D+00 -0.117534D+01 -0.206249D+01 -0.584535D+00 -0.204459D+01
      2   0.532235D+00 -0.206249D+01  0.312741D+01 -0.473085D+00 -0.840256D+00
      3   0.124024D+00 -0.584535D+00 -0.473085D+00  0.147261D+01 -0.981520D+00
               221           222           223           224           225 
      1  -0.840256D+00 -0.981520D+00 -0.138203D+00 -0.680098D+00 -0.177520D+01
      2  -0.366634D+00 -0.189966D+01 -0.680098D+00 -0.115178D+01  0.367116D+01
      3  -0.189966D+01  0.521855D+01 -0.177520D+01  0.367116D+01  0.237153D+01
               226           227           228           229           230 
      1  -0.904200D+00  0.152811D+01  0.151503D+00  0.440321D+00 -0.140808D+01
      2   0.152811D+01 -0.292532D+01 -0.291536D+00 -0.140808D+01  0.982050D+01
      3   0.151503D+00 -0.291536D+00 -0.262905D+00 -0.301329D+00  0.123908D+01
               231           232           233           234           235 
      1  -0.301329D+00 -0.502472D-01 -0.146574D+00  0.142162D+00  0.601582D+01
      2   0.123908D+01 -0.146574D+00  0.129478D+01  0.464196D+00  0.420867D+01
      3   0.970436D+00  0.142162D+00  0.464196D+00  0.273753D+00  0.136763D+01
               236           237           238           239           240 
      1   0.420867D+01  0.136763D+01  0.489015D+01  0.517458D+01  0.137815D+01
      2   0.388096D+01  0.100531D+01  0.517458D+01  0.676881D+01  0.155180D+01
      3   0.100531D+01  0.857157D+00  0.137815D+01  0.155180D+01  0.119509D+01
               241           242           243           244           245 
      1   0.171041D+01  0.144469D+01  0.161263D+00  0.226814D+01 -0.236593D+01
      2   0.144469D+01  0.157165D+01  0.700462D+00 -0.236593D+01  0.148007D+01
      3   0.161263D+00  0.700462D+00  0.358776D+00 -0.193859D+00 -0.116071D-01
               246           247           248           249           250 
      1  -0.193859D+00 -0.370568D+01  0.332671D+01  0.291513D+00 -0.419546D+00
      2  -0.116071D-01  0.332671D+01 -0.600614D+01 -0.658394D+00  0.298006D+00
      3   0.105807D+00  0.291513D+00 -0.658394D+00 -0.645294D+00  0.504917D-01
               251           252           253           254           255 
      1   0.298006D+00  0.504917D-01  0.160248D+02 -0.432061D+00  0.146330D+01
      2  -0.911256D+00 -0.705272D-01 -0.432061D+00  0.905373D+00 -0.370159D-01
      3  -0.705272D-01 -0.903693D-01  0.146330D+01 -0.370159D-01  0.124071D+01
               256           257           258           259           260 
      1   0.209386D+01  0.112772D+01  0.177847D+00  0.198909D+01 -0.787266D-01
      2   0.112772D+01  0.397550D+00  0.283293D+00 -0.787266D-01  0.316469D+00
      3   0.177847D+00  0.283293D+00  0.443877D-02  0.173800D+01 -0.349350D+00
               261           262           263           264           265 
      1   0.173800D+01 -0.251451D+00  0.340219D+00 -0.817597D+00 -0.772679D+00
      2  -0.349350D+00  0.340219D+00 -0.237367D+00  0.219028D+00  0.154265D+01
      3   0.370570D+00 -0.817597D+00  0.219028D+00 -0.539579D+00  0.120459D+01
               266           267           268           269           270 
      1   0.154265D+01  0.120459D+01 -0.473430D+01  0.219002D+01  0.305850D+01
      2  -0.169930D+01 -0.143823D+01  0.219002D+01 -0.181826D+01 -0.228204D+01
      3  -0.143823D+01 -0.206181D+01  0.305850D+01 -0.228204D+01 -0.579161D+01
               271           272           273           274           275 
      1  -0.149823D+01  0.550408D+00  0.471188D+00 -0.154350D+01  0.210884D+01
      2   0.550408D+00 -0.939967D+00  0.664961D+00  0.210884D+01 -0.394712D+01
      3   0.471188D+00  0.664961D+00 -0.125470D+01 -0.982242D+00  0.270140D+01
               276           277           278           279 
      1  -0.982242D+00  0.290863D+01 -0.157178D+01  0.174148D+01
      2   0.270140D+01 -0.157178D+01  0.260996D+01 -0.278519D+01
      3  -0.274325D+01  0.174148D+01 -0.278519D+01  0.365930D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.356200D+01 -0.354552D+01 -0.138031D+00 -0.749362D+01 -0.648398D+01
      2  -0.109735D+02 -0.420929D+01 -0.792998D+00  0.110828D+02  0.123033D+00
      3  -0.269034D+02  0.235006D+02  0.131518D+01  0.402595D+02  0.188671D+02
                 6             7             8             9            10 
      1  -0.174015D+01  0.347405D+01  0.610369D+01  0.122197D+01 -0.170800D+01
      2  -0.202911D+00 -0.185044D+02 -0.331687D+01 -0.269093D+01  0.221280D+02
      3   0.613570D+01  0.257245D+01  0.737674D+01  0.105252D+00  0.373224D+01
                11            12            13            14            15 
      1  -0.567371D+01 -0.984626D+00 -0.574106D+01 -0.209169D+01 -0.130844D+00
      2  -0.656785D+00 -0.323551D+01 -0.182637D+02 -0.543555D+01 -0.292890D+01
      3   0.259611D+02  0.346019D+01  0.497112D+02  0.250443D+02  0.933611D+01
                16            17            18            19            20 
      1   0.380660D+01  0.715062D+01  0.192185D+01 -0.450792D+01  0.121272D+01
      2  -0.227641D+02 -0.323038D+01 -0.306108D+01  0.189443D+02  0.707804D+01
      3   0.685555D+01  0.835598D+01  0.234099D+01  0.297716D+02 -0.205640D+02
                21            22            23            24            25 
      1  -0.309244D+00 -0.849719D+00 -0.340790D+01 -0.274818D+01  0.804459D+01
      2   0.725651D+00  0.167041D+02  0.279760D+01 -0.117844D+01 -0.143662D+02
      3   0.304549D-01  0.108224D+02  0.229206D+01  0.502946D+00 -0.133664D+01
                26            27            28            29            30 
      1   0.248988D+01 -0.241671D+01 -0.936709D+00 -0.156580D+01 -0.236496D+00
      2  -0.679181D+01 -0.326838D+01 -0.339345D+02 -0.534765D+01  0.682371D+00
      3  -0.436304D+01  0.149258D+01 -0.627054D+01  0.933359D+01  0.127405D+01
                31            32            33            34            35 
      1  -0.694987D+01  0.280472D+01  0.322197D+01 -0.189941D+01  0.150668D+02
      2  -0.786864D+01  0.146123D+01  0.617234D+00 -0.165250D+02 -0.104338D+01
      3   0.251850D+02 -0.453003D+01 -0.464166D+01  0.233386D+01  0.394379D+00
                36            37            38            39            40 
      1   0.388279D+01 -0.130419D+01  0.534288D+01 -0.245931D+01  0.452751D+01
      2  -0.508497D+00 -0.232381D-01  0.219926D+00  0.140864D+01 -0.617051D+01
      3  -0.198595D+01  0.217632D+02 -0.468862D+01 -0.124916D+01  0.101054D+01
                41            42            43            44            45 
      1  -0.382489D+01 -0.227836D+01 -0.160125D+02  0.475538D+01 -0.112229D+01
      2  -0.491888D+01  0.101485D+01 -0.116682D+02  0.728221D+01 -0.911142D+00
      3   0.100721D+02  0.407663D+01 -0.309027D+00  0.243054D+01  0.603777D+01
                46            47            48            49            50 
      1   0.261072D+01 -0.808309D+00  0.341663D+01  0.128263D+01  0.409197D+01
      2   0.626508D+01  0.268247D+01  0.241277D+01  0.276543D+01  0.281052D+01
      3  -0.364168D+02 -0.233826D+02 -0.520724D+01 -0.119731D+02 -0.221086D+02
                51            52            53            54            55 
      1  -0.240344D+01  0.110884D+02 -0.277949D+01  0.319209D+01  0.249746D+01
      2   0.113277D+01 -0.170820D+02  0.413264D+00  0.272175D+00  0.539200D+01
      3  -0.448846D+01 -0.897378D+01 -0.576629D+01 -0.743491D+01 -0.251627D+02
                56            57            58            59            60 
      1   0.424807D+01  0.515432D+01 -0.138599D+01  0.393089D+01 -0.192460D+01
      2   0.241145D+00 -0.342803D+01  0.481417D+01  0.274694D+01  0.337518D+01
      3  -0.128442D+02 -0.301968D+01 -0.175072D+01 -0.218958D+02 -0.991325D+00
                61            62            63            64            65 
      1   0.988768D+01 -0.232098D+01  0.127719D+01 -0.188909D+00 -0.740268D+00
      2  -0.218810D+02  0.492555D+01  0.459341D+00  0.697267D+00  0.144304D+00
      3  -0.464019D+01 -0.276669D+01 -0.135440D+02 -0.229686D+01  0.184602D+01
                66            67            68            69            70 
      1   0.876676D+00  0.348393D+00 -0.148039D+01 -0.338541D+01  0.582378D-01
      2   0.145762D-01  0.638027D+00 -0.102224D+01 -0.151245D+01 -0.235559D+01
      3  -0.133315D+00  0.572823D+01  0.361696D+01  0.844286D+00 -0.390759D-01
                71            72            73            74            75 
      1   0.171355D+01  0.160766D+00  0.320986D+00  0.126306D+01 -0.197016D+01
      2   0.972547D+00 -0.505061D-02 -0.352158D+01 -0.131320D+01  0.103558D+01
      3   0.866956D+00 -0.710106D+00  0.747139D+01  0.183862D+00  0.743084D+00
                76            77            78            79            80 
      1   0.129621D+01  0.264575D+01 -0.269219D+01  0.315924D+01  0.198542D+01
      2  -0.177486D+01 -0.129853D+01  0.191993D+01 -0.280830D+01 -0.380727D+00
      3   0.175169D+01 -0.235201D+01  0.905701D-02  0.154298D+01 -0.295033D+00
                81            82            83            84            85 
      1   0.168878D+00  0.135592D+01 -0.176791D+01  0.136041D+01 -0.550757D+00
      2   0.755230D+00  0.138537D+01 -0.129092D+01  0.775781D+00 -0.114037D+01
      3  -0.104845D+01 -0.589002D+01  0.292026D+01  0.216036D+00  0.520700D+01
                86            87            88            89            90 
      1   0.399294D+01 -0.367427D+01 -0.133192D+01  0.246417D+01 -0.405656D+00
      2   0.192360D+01 -0.925279D+00 -0.336248D+00 -0.684564D+00 -0.391396D+00
      3  -0.374908D+01 -0.106554D+01 -0.301474D+00 -0.877279D+00  0.840123D+00
                91            92            93            94            95 
      1  -0.547974D+00 -0.135610D+01  0.475820D+00  0.224464D+01  0.276130D+00
      2   0.255218D+02  0.457559D+01 -0.948484D+01  0.320493D+01 -0.750404D+01
      3   0.552854D+01 -0.214994D+01 -0.140687D+01  0.185970D+02 -0.631629D+01
                96            97            98            99           100 
      1  -0.321729D+01  0.563994D-01  0.363426D+01 -0.398649D+01 -0.157057D+01
      2  -0.372782D+01 -0.432709D+02 -0.928797D+01  0.411914D+01  0.184880D+01
      3   0.124672D+02 -0.217856D+01  0.118470D+02  0.881316D+01  0.146005D+02
               101           102           103           104           105 
      1   0.295499D+01  0.245640D+01  0.554346D+00  0.347693D+01  0.595834D+01
      2  -0.524324D+01  0.163858D+02 -0.156640D+01  0.788345D+01  0.803102D+01
      3  -0.164069D+02  0.862810D+01 -0.961246D+01 -0.942768D+00 -0.124502D+02
               106           107           108           109           110 
      1  -0.116078D+01  0.102634D+02  0.135365D+00  0.693903D+01  0.193486D+01
      2   0.741879D+01  0.130895D+02 -0.127362D+02 -0.218590D+02 -0.387451D+01
      3   0.668475D+01 -0.795685D+01 -0.172691D+02 -0.199760D+01  0.153552D+02
               111           112           113           114           115 
      1   0.547362D+01  0.134681D+02  0.545777D+01 -0.158026D+02  0.385806D+01
      2   0.157538D+01 -0.950618D+00 -0.801999D+00 -0.412566D+01  0.266237D+02
      3   0.701543D+00  0.127101D+02  0.115307D+02 -0.247806D+01  0.537528D+01
               116           117           118           119           120 
      1  -0.371821D+01 -0.256860D+01  0.554937D+00  0.117387D+01  0.291449D+00
      2   0.658184D+00 -0.459183D+00  0.386003D+01  0.632100D+00  0.558818D+01
      3  -0.472109D+01 -0.274679D+01 -0.758564D+01 -0.560983D+01 -0.176557D+01
               121           122           123           124           125 
      1   0.735399D-01  0.221576D+01  0.421558D+00 -0.308118D-01  0.276306D+01
      2  -0.838268D+00  0.536931D+01  0.649549D+01  0.596496D+01  0.562350D+01
      3  -0.291187D+01 -0.898685D+01 -0.739684D+01 -0.162830D+01 -0.848369D+01
               126           127           128           129           130 
      1   0.861738D+00  0.803705D+00 -0.150297D+01 -0.212706D+01 -0.141151D+00
      2   0.102740D+02  0.731868D+01  0.368897D+01 -0.918488D+01  0.316970D+00
      3  -0.729598D+01  0.362367D+01  0.556387D+01 -0.642116D+01  0.312071D+01
               131           132           133           134           135 
      1  -0.391332D+00 -0.233244D+01 -0.144420D+01  0.119109D+01  0.617306D+01
      2   0.474335D+01 -0.661212D+01 -0.542827D+01 -0.967502D+01  0.248609D+02
      3   0.600583D+01 -0.563276D+01 -0.280022D+01 -0.743793D+01  0.132392D+02
               136           137           138           139           140 
      1  -0.170682D+01 -0.837978D+00 -0.145586D+01  0.107297D+00 -0.747510D+01
      2  -0.261179D+01  0.841202D+00 -0.165047D+01  0.870718D+00 -0.636790D+01
      3   0.460519D+01  0.366240D+01  0.123821D+01  0.236034D+01  0.171883D+02
               141           142           143           144           145 
      1  -0.707649D+01  0.147972D+00 -0.500668D+01 -0.713133D+01  0.488454D+00
      2  -0.634952D+01 -0.127945D+01 -0.655430D+01 -0.719246D+01 -0.679136D+01
      3   0.724554D+01  0.119841D+01  0.115755D+02  0.875723D+01 -0.865504D+01
               146           147           148           149           150 
      1   0.164432D+01  0.172190D+01  0.110850D+01 -0.201921D+00 -0.115183D+01
      2   0.990864D-01  0.568184D+01  0.832379D+00 -0.178014D+01 -0.967508D-01
      3  -0.609302D+01 -0.465506D+00 -0.164818D+01 -0.377149D+00  0.140653D+01
               151           152           153           154           155 
      1   0.133927D+01 -0.384911D+00  0.317045D+00 -0.509948D+01 -0.159276D+01
      2   0.285679D+01 -0.166464D+01  0.243424D+01  0.100532D+02  0.156924D+00
      3  -0.166959D+01  0.105125D+01  0.485010D+00 -0.617088D+01 -0.258489D+02
               156           157           158           159           160 
      1  -0.567863D+01 -0.958805D+01 -0.347233D+01  0.763897D-01 -0.304830D+01
      2   0.228289D+02 -0.272791D+01  0.117635D+01  0.635072D+01  0.709637D+01
      3   0.137312D+01 -0.170994D+02 -0.157154D+02  0.161464D+01  0.213212D+00
               161           162           163           164           165 
      1   0.256171D+01  0.429194D+00 -0.715795D+01 -0.284732D+01  0.753761D+00
      2   0.385873D+01 -0.174253D+01  0.931194D+01  0.382967D+01  0.199734D+01
      3   0.255738D+01 -0.207086D+01 -0.647051D+01 -0.310767D+01  0.101625D+00
               166           167           168           169           170 
      1  -0.617566D+01 -0.552139D+00  0.471838D+01  0.197386D+01  0.761091D+01
      2   0.393959D+01 -0.537635D+01  0.163491D+01 -0.113982D+02  0.644727D+00
      3   0.672616D+00 -0.453137D-01  0.595862D+01 -0.232913D+01  0.263940D+01
               171           172           173           174           175 
      1   0.300487D+01  0.782156D+01  0.253538D+01 -0.170725D+01  0.707163D+01
      2  -0.223207D+02 -0.212704D+02 -0.269792D+01 -0.635166D+01 -0.488758D+01
      3  -0.396067D+00  0.373399D+01  0.173929D+01 -0.119692D+01  0.541292D+01
               176           177           178           179           180 
      1   0.805998D+00 -0.295438D+01 -0.164526D+01 -0.125332D+01  0.608494D+00
      2  -0.260665D+01 -0.184382D+01 -0.142020D+01  0.263711D+00 -0.183684D+01
      3   0.153219D+00  0.560718D+00 -0.216420D+01 -0.757474D+00  0.703239D+00
               181           182           183           184           185 
      1  -0.813425D+00 -0.193005D+01 -0.468337D+01  0.413047D+01 -0.305381D+01
      2  -0.130392D+01  0.138337D+01  0.563920D+01  0.343596D+01 -0.810297D+01
      3   0.239452D+02 -0.115352D+02  0.817745D+00 -0.719982D+01  0.274222D+02
               186           187           188           189           190 
      1  -0.178748D+01 -0.162781D+02  0.558502D+01 -0.291747D+01 -0.150414D+01
      2   0.719105D+00 -0.468583D-01  0.105670D+02  0.433353D+01  0.101226D+02
      3   0.411435D+01 -0.651155D+00  0.603178D+01  0.302242D+01  0.768352D+01
               191           192           193           194           195 
      1  -0.624155D+01 -0.184206D+01 -0.822131D+01 -0.462596D+01  0.215450D+01
      2  -0.283452D+01 -0.103745D+01 -0.298278D+01  0.536436D+01  0.104584D+01
      3   0.204927D+02  0.423872D+01  0.563028D+02 -0.205326D+02  0.299141D+01
               196           197           198           199           200 
      1   0.183312D+01  0.131468D+02  0.309610D+01  0.494423D+00  0.418791D+01
      2   0.118118D+01  0.269807D+01  0.311399D+01 -0.149144D+02  0.109459D+01
      3   0.116973D+02  0.153139D+01 -0.543022D+00  0.150289D+01 -0.182265D+02
               201           202           203           204           205 
      1   0.730992D+00  0.146654D+01  0.201365D+01 -0.253252D+01  0.324510D+01
      2   0.293861D+01 -0.106104D+01  0.257676D+01 -0.344239D+01 -0.218503D+02
      3  -0.295071D+01 -0.132354D+02 -0.430283D+00 -0.385852D+01 -0.606770D+01
               206           207           208           209           210 
      1   0.376310D+01  0.905455D+00  0.165336D+01  0.588756D+01  0.173344D+01
      2  -0.135128D+02 -0.594896D+01  0.160867D+01  0.479304D+01  0.120928D+02
      3  -0.577029D+01  0.522643D+01 -0.139746D+02 -0.393783D+02 -0.623561D+01
               211           212           213           214           215 
      1   0.957886D+00  0.152774D+01 -0.605226D+01 -0.278876D+01 -0.207423D+00
      2   0.156069D+01  0.213093D+01 -0.681537D+01 -0.452447D+01  0.543813D+01
      3  -0.202224D+01 -0.601749D+01 -0.271875D+01 -0.334417D+01 -0.497780D+01
               216           217           218           219           220 
      1  -0.137344D+01 -0.256568D+01 -0.141441D+01  0.150260D+01  0.102595D+01
      2   0.981159D+00 -0.713526D+01 -0.344219D+01  0.762364D+01 -0.368623D+01
      3  -0.294059D+01  0.357967D+02 -0.106156D+02  0.785930D+01  0.267522D+01
               221           222           223           224           225 
      1  -0.499391D+00  0.758696D+01 -0.127764D+02  0.952497D+01  0.450525D+01
      2  -0.675343D+01  0.309640D+02 -0.862221D+01  0.210074D+02  0.149315D+02
      3  -0.208281D+02  0.852971D+01  0.604121D+01  0.570642D+01 -0.267877D+02
               226           227           228           229           230 
      1   0.455086D+00 -0.560755D+00  0.161558D+01  0.367941D+00  0.626850D-01
      2   0.106055D+01 -0.101427D+01  0.215016D+00 -0.113289D+01  0.332441D+01
      3  -0.803267D+01  0.772065D+01  0.508787D+00  0.629958D+01 -0.207088D+02
               231           232           233           234           235 
      1  -0.440982D+01 -0.920039D+00  0.185937D+01 -0.547327D+00 -0.135293D+01
      2   0.656691D+00  0.357183D+00  0.529389D+00  0.124043D+00  0.188485D+01
      3  -0.321110D+01  0.135839D-01 -0.254144D+01  0.877039D-01  0.244953D+00
               236           237           238           239           240 
      1  -0.129694D+00 -0.253962D+01 -0.834449D+00  0.112283D+00 -0.344709D+01
      2   0.175705D+01  0.345953D+01  0.271741D+01  0.324264D+01  0.469971D+01
      3  -0.593720D+01 -0.535444D+00 -0.635972D+01 -0.139692D+02 -0.248291D+01
               241           242           243           244           245 
      1   0.239378D+01  0.811435D+00 -0.351442D+00  0.535471D+00 -0.517080D+00
      2  -0.184835D+01  0.201554D+01  0.145849D+01  0.655348D+00 -0.627541D+00
      3  -0.930957D+00 -0.255366D+01 -0.225311D+01  0.860631D+00 -0.220880D+01
               246           247           248           249           250 
      1   0.809889D+00 -0.594880D+00  0.385375D+00 -0.290707D+01  0.156989D+00
      2   0.427913D+00 -0.586754D+00 -0.137585D+01 -0.232697D+01 -0.138514D+01
      3  -0.124344D+00 -0.121164D+01  0.146325D+02  0.201054D+01 -0.294162D+00
               251           252           253           254           255 
      1   0.133860D+01 -0.130080D+00  0.148314D+01  0.611971D+00  0.121486D+01
      2   0.979608D+00 -0.170031D+00  0.551460D+01  0.752681D-01  0.933025D+01
      3   0.278426D+01 -0.785197D-01 -0.130910D+02 -0.846423D+01 -0.159698D+01
               256           257           258           259           260 
      1   0.206187D+00  0.473682D+00 -0.700864D+00  0.200294D+01 -0.312268D-02
      2   0.533126D+00  0.133611D+01  0.883452D-01  0.791277D+01 -0.176293D+01
      3  -0.621270D+01 -0.336552D+01 -0.177658D+01 -0.144554D+01 -0.232639D+01
               261           262           263           264           265 
      1   0.107593D+00 -0.448616D+00  0.456710D-01 -0.112097D+01  0.841554D+00
      2   0.183165D+01 -0.638854D+01  0.117603D+01 -0.244018D+01  0.599959D+01
      3   0.129945D+01 -0.794350D+00  0.310448D+01  0.293324D+00 -0.564010D+01
               266           267           268           269           270 
      1  -0.205118D+01 -0.394033D+01  0.489588D+01 -0.140796D+01 -0.955093D+01
      2  -0.822485D+01 -0.120769D+02  0.111461D+02 -0.133107D+02 -0.327060D+02
      3   0.133225D+02  0.933598D+01 -0.799752D+01  0.131012D+02  0.166162D+02
               271           272           273           274           275 
      1  -0.162937D+00 -0.110857D-01 -0.233567D+01 -0.619062D+00  0.858385D+00
      2   0.522044D+01  0.256263D+01 -0.582219D+01 -0.377732D+01  0.125588D+02
      3   0.297052D+00  0.804854D+01 -0.496844D+01 -0.672231D+01  0.272704D+02
               276           277           278           279 
      1  -0.425972D+01  0.246566D+01 -0.107194D+01  0.500956D+01
      2  -0.145805D+02  0.458022D+01 -0.142979D+02  0.179352D+02
      3  -0.158825D+02  0.457277D+01 -0.166552D+02  0.180384D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.695242D+02 -0.250577D+02 -0.102642D+02  0.787694D+02  0.133578D+01
      2   0.345994D+02  0.141444D+02  0.701623D+01 -0.355965D+02  0.937418D+01
      3   0.349248D+02  0.109133D+02  0.324799D+01 -0.431729D+02 -0.107100D+02
      4   0.660357D+00  0.130325D+02  0.314734D+01  0.111956D+02  0.212602D+02
      5  -0.100063D+02  0.906361D+00 -0.234093D+01  0.124984D+01  0.199091D+01
      6  -0.212069D+01  0.329436D+01  0.389596D+00 -0.151844D+01 -0.335331D+00
                 6             7             8             9            10 
      1   0.104589D+02  0.418867D+01 -0.849226D+00 -0.861642D+01  0.925868D+02
      2  -0.206035D+01  0.915512D+00  0.306923D+01 -0.927828D+00 -0.376775D+02
      3  -0.839860D+01 -0.510418D+01 -0.222001D+01  0.954425D+01 -0.549093D+02
      4   0.513499D+01  0.210285D+01  0.425029D+01  0.253875D+01 -0.224132D+02
      5  -0.204311D+01 -0.819489D+00  0.117390D+01 -0.344907D+01  0.730731D+01
      6  -0.119123D+00 -0.300848D+01  0.371938D+01 -0.268798D+01  0.340635D+00
                11            12            13            14            15 
      1  -0.110089D+02  0.910372D+01 -0.763962D+02 -0.249244D+02 -0.110104D+02
      2   0.857969D+01 -0.204744D+01  0.278539D+02  0.149593D+02  0.678220D+01
      3   0.242917D+01 -0.705629D+01  0.485422D+02  0.996515D+01  0.422824D+01
      4   0.112394D+02  0.205193D+01 -0.267322D+02 -0.195076D+02 -0.494756D+01
      5   0.373492D+01 -0.801060D+01 -0.360616D+01 -0.110190D+01  0.307876D+00
      6   0.290650D+00  0.129433D+00 -0.253689D+01  0.412223D+01 -0.269038D+00
                16            17            18            19            20 
      1  -0.189070D+01 -0.465425D+01 -0.603385D+01  0.389918D+02  0.334898D+02
      2   0.254412D+01  0.288080D+01 -0.264279D+01 -0.173334D+02 -0.217282D+02
      3  -0.653411D+00  0.177344D+01  0.867664D+01 -0.216585D+02 -0.117616D+02
      4  -0.785790D+01 -0.194327D+01 -0.404389D+01  0.518203D+01 -0.178821D+02
      5   0.242422D+01 -0.184487D+01 -0.375206D+01  0.975545D+01  0.188468D+01
      6  -0.254375D+01  0.391977D+01 -0.135993D+01  0.345962D+01 -0.787484D+01
                21            22            23            24            25 
      1   0.147894D+02 -0.120161D+02  0.204093D+02  0.110730D+02  0.376373D+01
      2  -0.818351D+01  0.219661D+02 -0.226499D+02 -0.677940D+01  0.520984D+01
      3  -0.660593D+01 -0.995002D+01  0.224058D+01 -0.429362D+01 -0.897357D+01
      4  -0.102797D+01  0.877511D+01 -0.154387D+01  0.217806D+01  0.785839D+01
      5  -0.691477D+00  0.680569D+01  0.318089D+01 -0.564711D+01  0.106912D+02
      6  -0.147114D+01  0.740525D+01 -0.100073D+02  0.422466D+01  0.936236D+00
                26            27            28            29            30 
      1   0.176325D+02 -0.468419D+01  0.291543D+02  0.795663D+01 -0.991540D+01
      2  -0.109769D+02 -0.438784D+01 -0.357441D+02 -0.377705D+01  0.449505D+01
      3  -0.665555D+01  0.907203D+01  0.658984D+01 -0.417957D+01  0.542034D+01
      4   0.989043D+00 -0.463676D+01  0.153247D+02  0.124462D+02  0.156943D+01
      5  -0.750677D+01 -0.524063D+01 -0.109459D+02  0.192699D+01  0.794225D+01
      6   0.834109D+01 -0.406126D+01 -0.776568D+01  0.342877D+01  0.143495D+01
                31            32            33            34            35 
      1  -0.251426D+02 -0.519063D+02 -0.124364D+02 -0.173760D+02 -0.116676D+02
      2   0.152046D+02  0.416920D+02  0.131964D+02  0.452432D+00  0.882652D+01
      3   0.993802D+01  0.102144D+02 -0.759921D+00  0.169236D+02  0.284106D+01
      4  -0.323660D+02  0.155679D+02  0.433143D+01 -0.111222D+02  0.510145D+01
      5  -0.147296D+02  0.933652D-01  0.434899D-01  0.229816D+02  0.443930D+01
      6  -0.376847D+01  0.141800D+02  0.266552D+00 -0.160429D+01  0.676203D+01
                36            37            38            39            40 
      1  -0.777684D+01 -0.121469D+02 -0.609152D+02 -0.125402D+02  0.291907D+02
      2  -0.700658D+01  0.547874D+01  0.423637D+02  0.499271D+01 -0.269616D+02
      3   0.147834D+02  0.666816D+01  0.185515D+02  0.754744D+01 -0.222915D+01
      4   0.178246D+01 -0.259253D+02 -0.271310D+01 -0.511963D+01  0.206254D+02
      5   0.249608D+01 -0.354054D+00 -0.801302D+01  0.591615D+00 -0.472402D+00
      6  -0.206900D+01 -0.540236D+01  0.789856D+01  0.742652D+01 -0.720750D+01
                41            42            43            44            45 
      1   0.290240D+02  0.640788D+01 -0.102174D+01 -0.652065D+01 -0.178866D+02
      2  -0.255142D+02 -0.736631D+01 -0.124228D+02 -0.374302D+01 -0.529326D+00
      3  -0.350978D+01  0.958434D+00  0.134445D+02  0.102637D+02  0.184159D+02
      4  -0.212945D+02 -0.670168D+01 -0.103130D+02 -0.776571D+01  0.482147D+01
      5  -0.472187D+01  0.511035D+01  0.122431D+02  0.490523D+01  0.630419D+01
      6  -0.121431D+02 -0.674655D+00  0.149070D+02  0.106753D+02  0.816615D+01
                46            47            48            49            50 
      1   0.143964D+02  0.485634D+02  0.143075D+02 -0.206648D+02  0.581287D+01
      2  -0.100150D+02 -0.299331D+02 -0.474568D+01  0.169000D+02 -0.119031D+02
      3  -0.438134D+01 -0.186303D+02 -0.956182D+01  0.376484D+01  0.609028D+01
      4   0.265148D+02 -0.103627D+02  0.479505D+00  0.149189D+02  0.128800D+02
      5  -0.609504D+01 -0.400635D+00  0.159308D+01 -0.144308D+01  0.253743D+01
      6   0.114689D+01 -0.108204D+02 -0.861789D+01  0.535958D+01 -0.744507D+01
                51            52            53            54            55 
      1   0.265379D+01  0.811606D+00  0.992317D+01 -0.197931D+02 -0.188418D+02
      2  -0.531076D+01  0.279908D+01 -0.173908D+02  0.733674D+01  0.240106D+01
      3   0.265697D+01 -0.361069D+01  0.746767D+01  0.124563D+02  0.164408D+02
      4   0.442560D+01  0.614734D+01 -0.789487D+00 -0.365213D+01 -0.150206D+02
      5   0.145575D+00  0.380887D+01 -0.166640D+01 -0.492401D+01  0.354704D+01
      6   0.480490D+01 -0.418198D+01  0.167947D+02  0.484344D+01  0.143794D+01
                56            57            58            59            60 
      1   0.306620D+02  0.669440D+01 -0.543346D+01  0.148617D+02  0.643677D+01
      2  -0.266490D+02 -0.356319D+01  0.789473D+01 -0.174423D+02 -0.639834D+01
      3  -0.401296D+01 -0.313122D+01 -0.246128D+01  0.258060D+01 -0.384303D-01
      4  -0.513555D+02 -0.915993D+01  0.122299D+02  0.100208D+02 -0.260938D+00
      5  -0.534284D+01 -0.636336D+01  0.474917D+01 -0.454749D+00  0.428672D+01
      6  -0.624334D+01 -0.830866D+01  0.402235D+01 -0.755842D+01  0.544800D+01
                61            62            63            64            65 
      1  -0.428956D+00  0.100435D+02 -0.257025D+02  0.257339D+01  0.180449D+00
      2   0.122292D+01 -0.153946D+02  0.119552D+02  0.174365D+01 -0.236657D+01
      3  -0.793962D+00  0.535102D+01  0.137473D+02 -0.431705D+01  0.218612D+01
      4  -0.209607D+00 -0.110772D+02  0.654882D+01 -0.103344D+02  0.100200D+02
      5  -0.130314D+01  0.114732D+02 -0.642496D+00  0.281639D+01 -0.984841D+00
      6  -0.452317D+01  0.208063D+02  0.148765D+01 -0.170966D+01  0.148703D+01
                66            67            68            69            70 
      1   0.100680D+01  0.388639D+01 -0.195388D+02 -0.103785D+01  0.337379D+01
      2  -0.524245D+00 -0.865459D+01  0.265153D+02  0.916674D+00 -0.274540D+01
      3  -0.482559D+00  0.476820D+01 -0.697656D+01  0.121178D+00 -0.628395D+00
      4  -0.221768D+00  0.139359D+02 -0.193295D+02 -0.703683D+00  0.714083D+00
      5   0.100906D+01 -0.649823D+00 -0.622514D+00 -0.228650D+01  0.187800D+00
      6  -0.862050D+00  0.164303D+01 -0.208645D+01  0.434244D+01 -0.191909D+01
                71            72            73            74            75 
      1  -0.330662D+01 -0.260578D+01  0.874517D+00 -0.513387D+01 -0.204234D+01
      2   0.330984D+01  0.296658D+01  0.537114D+01  0.104106D+02  0.167171D+01
      3  -0.322065D-02 -0.360800D+00 -0.624565D+01 -0.527671D+01  0.370633D+00
      4  -0.223456D+01 -0.111262D+01  0.220997D+02  0.206928D+02  0.572309D+01
      5  -0.138507D+00 -0.155334D+00  0.846883D+01  0.601876D+01  0.504887D+01
      6   0.186357D+01  0.106614D+01  0.763057D+01  0.761562D+01  0.465841D+01
                76            77            78            79            80 
      1  -0.985979D+01 -0.209768D+02 -0.662724D+01 -0.748557D+00 -0.429758D+01
      2   0.162792D+02  0.298173D+02  0.574494D+01  0.388334D+01  0.511823D+01
      3  -0.641946D+01 -0.884052D+01  0.882302D+00 -0.313478D+01 -0.820652D+00
      4   0.235652D+02  0.294518D+02  0.713680D+01  0.713587D+01  0.690686D+01
      5   0.672247D+01  0.742290D+01  0.504215D+01  0.220122D+01  0.362247D+01
      6   0.102795D+02  0.146042D+02  0.887411D+01  0.163498D+01  0.558383D+01
                81            82            83            84            85 
      1  -0.207218D+01 -0.529846D+01  0.971598D+01  0.105269D+01  0.825406D+01
      2   0.242228D+01  0.812761D+01 -0.142522D+02 -0.114379D+01 -0.104697D+02
      3  -0.350098D+00 -0.282915D+01  0.453618D+01  0.910956D-01  0.221561D+01
      4   0.446247D+01 -0.748376D+01  0.150170D+02  0.217797D+01  0.922180D+01
      5   0.235413D+01 -0.254980D+01  0.374036D+01  0.267688D+01  0.245860D+01
      6   0.340309D+01  0.260970D+01 -0.358434D+01 -0.256450D+01 -0.356998D+01
                86            87            88            89            90 
      1  -0.453135D+02 -0.789872D+01  0.877112D+00 -0.654882D+01 -0.276661D+01
      2   0.590351D+02  0.737264D+01 -0.146161D+01  0.737912D+01  0.284519D+01
      3  -0.137216D+02  0.526081D+00  0.584502D+00 -0.830305D+00 -0.785874D-01
      4  -0.206992D+02 -0.322122D+01  0.165890D+01 -0.118712D+01 -0.233436D+01
      5  -0.648141D+01 -0.266870D+01  0.147924D+01 -0.260765D+01 -0.762666D+00
      6   0.158356D+02  0.916374D+01 -0.301231D+00  0.597095D+01  0.252945D+01
                91            92            93            94            95 
      1  -0.415665D+02 -0.180885D+02  0.126280D+02 -0.103038D+02 -0.283271D+01
      2   0.343357D+02  0.154876D+02 -0.665424D+01  0.115942D+02  0.302132D+01
      3   0.723077D+01  0.260090D+01 -0.597377D+01 -0.129042D+01 -0.188604D+00
      4  -0.218311D+02 -0.148795D+02  0.278158D+01 -0.251018D+02  0.115348D+02
      5   0.160356D+02  0.228741D+01 -0.230944D+02 -0.211805D+01 -0.261831D+02
      6   0.288184D+01 -0.508468D+01 -0.472448D+00 -0.704907D+01  0.172284D+01
                96            97            98            99           100 
      1  -0.322093D+01  0.360243D+02  0.663774D+01 -0.184035D+02 -0.651939D+02
      2   0.680402D+01 -0.256258D+02  0.148067D+00  0.133771D+02  0.378159D+02
      3  -0.358309D+01 -0.103985D+02 -0.678581D+01  0.502640D+01  0.273781D+02
      4  -0.268905D+02  0.777778D+01 -0.203841D+02 -0.155470D+02  0.210048D+02
      5  -0.673606D+01 -0.430078D+02 -0.160809D+02 -0.317033D+01 -0.303511D+02
      6  -0.950320D+01 -0.913956D+01 -0.323333D+01 -0.745745D+01  0.405698D+01
               101           102           103           104           105 
      1   0.212695D+02 -0.286800D+02 -0.291466D+01  0.102440D+02 -0.279553D+01
      2  -0.150146D+02  0.904669D+01 -0.235387D+01 -0.698942D+01 -0.144479D+02
      3  -0.625484D+01  0.196334D+02  0.526853D+01 -0.325454D+01  0.172435D+02
      4   0.166728D+02 -0.456626D+01  0.211929D+02 -0.139118D+02  0.261396D+02
      5  -0.558060D+01  0.201384D+02 -0.792717D+01  0.263156D+02  0.928209D+01
      6   0.633307D+01 -0.122271D+02  0.907118D+01 -0.108059D+02 -0.413677D+01
               106           107           108           109           110 
      1  -0.199917D+02 -0.756792D+01  0.356829D+02 -0.960292D+02 -0.188492D+02
      2   0.100919D+02 -0.109929D+02 -0.165508D+02  0.360767D+02  0.518203D+00
      3   0.989977D+01  0.185609D+02 -0.191321D+02  0.599526D+02  0.183310D+02
      4  -0.638908D+01  0.164759D+02  0.162805D+02 -0.359310D+02 -0.276175D+02
      5   0.118416D+02  0.200938D+02 -0.124353D+02  0.168231D+02  0.827341D+01
      6  -0.600372D+01 -0.970613D+01  0.150483D+02  0.186411D+01  0.216040D+01
               111           112           113           114           115 
      1   0.105607D+02 -0.207076D+02 -0.103384D+02  0.427034D+01 -0.543311D+02
      2  -0.217205D+01  0.445014D+01  0.558348D+01 -0.974357D+00  0.403212D+02
      3  -0.838869D+01  0.162575D+02  0.475488D+01 -0.329598D+01  0.140099D+02
      4   0.631777D+01  0.646681D+01 -0.132618D+02  0.283152D+01 -0.859711D+01
      5  -0.105876D+02  0.517791D+01  0.380249D+01 -0.220611D+01  0.415646D+02
      6  -0.284354D+01  0.479130D+01  0.609277D+00  0.325301D+01  0.123454D+02
               116           117           118           119           120 
      1  -0.557129D+01  0.317606D+02  0.120855D+02  0.811761D+01  0.575377D+01
      2   0.593399D+01 -0.106851D+02 -0.960243D+01 -0.589317D+01 -0.529436D+01
      3  -0.362698D+00 -0.210755D+02 -0.248305D+01 -0.222444D+01 -0.459407D+00
      4   0.873989D+00  0.804802D+01  0.151504D+02  0.119829D+02  0.501446D+01
      5   0.791473D+01 -0.246292D+01  0.151400D+02  0.588335D+01  0.163307D+02
      6  -0.124696D+01  0.810191D+00  0.573932D+01  0.293664D+01  0.331694D+01
               121           122           123           124           125 
      1   0.174756D+02  0.737238D+00 -0.500865D+00  0.741759D+01 -0.128472D+01
      2  -0.116610D+02 -0.721812D+00 -0.263090D+01 -0.836249D+01 -0.360707D+01
      3  -0.581456D+01 -0.154259D-01  0.313176D+01  0.944908D+00  0.489179D+01
      4   0.164992D+02  0.194250D+02  0.163665D+02  0.682733D+01  0.161056D+02
      5   0.124092D+02  0.165649D+02  0.155355D+02  0.236781D+02  0.141805D+02
      6   0.511902D+01  0.970871D+01  0.101752D+02  0.581831D+01  0.866315D+01
               126           127           128           129           130 
      1  -0.531744D+00 -0.553514D+01 -0.103976D+02  0.202228D+02 -0.947973D+00
      2  -0.102389D+02  0.207843D+00  0.609627D+01 -0.473086D+01  0.154264D+00
      3   0.107706D+02  0.532729D+01  0.430132D+01 -0.154919D+02  0.793708D+00
      4   0.143605D+02  0.330301D+00 -0.645198D+01  0.281332D+01  0.912393D+00
      5   0.293758D+02  0.457996D+01  0.479115D+01 -0.947255D+01 -0.872527D+00
      6   0.996890D+01 -0.353712D+01 -0.642622D+01  0.104430D+02 -0.129861D+01
               131           132           133           134           135 
      1  -0.122055D+02  0.111488D+02  0.118243D+02  0.138771D+02 -0.366872D+02
      2   0.739068D+01 -0.429901D+01 -0.485297D+01 -0.350361D+01 -0.928298D+00
      3   0.481481D+01 -0.684974D+01 -0.697132D+01 -0.103735D+02  0.376155D+02
      4  -0.741229D+01  0.611947D+01 -0.704955D+01  0.124411D+02 -0.152733D+02
      5   0.590830D+01 -0.983443D+01  0.599842D+01 -0.179646D+02  0.406469D+02
      6  -0.908540D+01  0.135335D+02 -0.101590D+00  0.163502D+02 -0.284459D+02
               136           137           138           139           140 
      1   0.253265D+01 -0.763721D+01 -0.107128D+01 -0.652207D+01 -0.133122D+02
      2   0.939825D+00  0.613843D+01  0.206824D+01  0.105550D+01  0.266590D+02
      3  -0.347248D+01  0.149878D+01 -0.996954D+00  0.546657D+01 -0.133468D+02
      4  -0.380058D+01 -0.178269D+01  0.157006D+01  0.919189D+01 -0.292157D+02
      5  -0.194549D+01 -0.378575D-01 -0.338321D+01 -0.245963D+00 -0.124846D+02
      6   0.161713D+01 -0.812304D+00  0.255412D+01 -0.460002D+00  0.382016D+01
               141           142           143           144           145 
      1  -0.425037D+01 -0.595475D+01 -0.403367D+01 -0.887489D+01  0.104826D+03
      2   0.116744D+02  0.146958D+01  0.140051D+02  0.101961D+02 -0.556129D+02
      3  -0.742404D+01  0.448517D+01 -0.997144D+01 -0.132117D+01 -0.492131D+02
      4  -0.112568D+02  0.100366D+02 -0.218999D+02 -0.109195D+02 -0.450600D+02
      5  -0.124085D+02 -0.352293D+00 -0.120498D+02 -0.150848D+02  0.401475D+02
      6   0.767801D+01  0.337588D+00  0.644622D+01  0.716969D+01 -0.913801D+01
               146           147           148           149           150 
      1  -0.158391D+02  0.160012D+02 -0.370613D+01  0.760391D+01  0.147155D+00
      2   0.514023D+01 -0.111720D+02 -0.138631D+01 -0.234150D+01  0.294965D+00
      3   0.106989D+02 -0.482914D+01  0.509244D+01 -0.526241D+01 -0.442120D+00
      4   0.203399D+02 -0.891326D+01  0.127720D+02 -0.461838D+01 -0.663040D-01
      5  -0.820214D+01  0.192034D+02  0.823269D-01  0.140222D+01 -0.156960D+00
      6   0.458481D+01 -0.492570D+01  0.295396D+01 -0.191108D+00  0.192021D+01
               151           152           153           154           155 
      1   0.109416D+02 -0.647013D+00  0.689205D+01  0.196874D+03  0.335707D+02
      2  -0.897530D+01  0.221595D+01 -0.604821D+01 -0.897445D+02 -0.942346D+01
      3  -0.196634D+01 -0.156894D+01 -0.843838D+00 -0.107129D+03 -0.241473D+02
      4  -0.380213D+01  0.626329D-01 -0.577490D+01  0.543259D+02  0.485428D+02
      5   0.180166D+02 -0.485926D+01  0.103498D+02 -0.360583D+02 -0.102633D+02
      6  -0.390744D+01  0.294057D+01 -0.334537D+01 -0.134864D+01 -0.407901D+01
               156           157           158           159           160 
      1  -0.100827D+02  0.307225D+02  0.350378D+02 -0.427892D+00 -0.905082D+01
      2   0.976729D+01 -0.583206D+01 -0.817379D+01  0.688550D+00  0.906855D+01
      3   0.315453D+00 -0.248904D+02 -0.268640D+02 -0.260658D+00 -0.177270D-01
      4  -0.769416D+01  0.556664D+02  0.382091D+02 -0.488926D+01 -0.565770D+01
      5   0.404685D+02 -0.602415D+01 -0.865551D+01  0.918218D+01  0.374129D+02
      6   0.348005D+01 -0.904720D+01 -0.481043D+01  0.616297D+01  0.437760D+01
               161           162           163           164           165 
      1  -0.103796D+01  0.205968D+02  0.680019D+02  0.117593D+02 -0.203697D+02
      2   0.113772D+01 -0.138763D+02 -0.451975D+02 -0.527033D+01  0.131005D+02
      3  -0.997612D-01 -0.672053D+01 -0.228044D+02 -0.648899D+01  0.726921D+01
      4  -0.308955D+01  0.865930D+01  0.197469D+02  0.817267D+01 -0.152342D+01
      5   0.876895D+01 -0.980962D+01 -0.400336D+02 -0.186652D+01  0.213242D+02
      6   0.552793D+01 -0.223446D+01 -0.682318D+01 -0.987795D+00  0.110910D+01
               166           167           168           169           170 
      1   0.186760D+02 -0.887751D+01  0.106730D+01  0.114580D+02  0.442514D+01
      2  -0.109505D+02  0.239016D+01 -0.969021D+00 -0.338240D+01 -0.272005D+01
      3  -0.772548D+01  0.648735D+01 -0.982814D-01 -0.807564D+01 -0.170509D+01
      4   0.633379D+01 -0.132784D+01 -0.948726D+01  0.432922D+01 -0.413672D+01
      5  -0.750831D+01 -0.912829D+01  0.144249D+01  0.100120D+02  0.265322D+00
      6  -0.338443D+01 -0.221247D+01  0.118700D+02 -0.191512D+01  0.979514D+01
               171           172           173           174           175 
      1  -0.356090D+02 -0.564661D+02 -0.538147D+01 -0.233490D+01 -0.141012D+02
      2  -0.102087D+02  0.352641D+02  0.316824D+01 -0.835125D+01  0.100572D+02
      3   0.458177D+02  0.212020D+02  0.221322D+01  0.106862D+02  0.404397D+01
      4  -0.209346D+01 -0.128352D+02 -0.476379D+01  0.121287D+01 -0.193032D+01
      5  -0.384671D+02  0.296216D+02  0.182441D+01 -0.190029D+02  0.692846D+01
      6  -0.209439D+01  0.526179D+01  0.331903D+01 -0.155215D+01  0.171350D+01
               176           177           178           179           180 
      1  -0.472043D+01 -0.292251D+00  0.171275D+02  0.223718D+01 -0.105927D+02
      2   0.270407D+01 -0.265216D+01 -0.159061D+02 -0.194911D+01  0.599998D+01
      3   0.201636D+01  0.294441D+01 -0.122148D+01 -0.288071D+00  0.459272D+01
      4  -0.824134D+00 -0.234533D+01  0.638786D+01  0.941751D+00 -0.209164D+01
      5  -0.191189D+01 -0.529626D+01 -0.156913D+02 -0.120174D+01  0.509404D+01
      6   0.135580D+01  0.239366D+01 -0.234951D+01  0.538393D+00  0.161326D+01
               181           182           183           184           185 
      1   0.335166D+02 -0.477098D+02 -0.569107D+01  0.416989D+02  0.168591D+02
      2  -0.159788D+02  0.393719D+02  0.282392D+01 -0.296001D+02 -0.184598D+02
      3  -0.175378D+02  0.833795D+01  0.286715D+01 -0.120988D+02  0.160064D+01
      4  -0.519026D+01  0.348757D+02 -0.106944D+01  0.640848D+01 -0.281044D+02
      5  -0.747559D+01 -0.290090D+01  0.870507D+01 -0.278171D+01 -0.112505D+02
      6  -0.658324D+01  0.416173D-02  0.701040D+01 -0.730810D+01 -0.905256D+01
               186           187           188           189           190 
      1   0.470142D+01  0.557398D+01 -0.708104D+01  0.188851D+01  0.105536D+03
      2  -0.560021D+01 -0.133936D+02 -0.164445D+01 -0.739851D+01 -0.555868D+02
      3   0.898793D+00  0.781959D+01  0.872548D+01  0.551000D+01 -0.499488D+02
      4  -0.974193D+01 -0.111563D+02 -0.105443D+02  0.209035D+02  0.215723D+01
      5   0.410375D+01  0.303783D+02  0.180522D+02  0.112370D+02 -0.116364D+01
      6   0.130303D+01  0.212534D+02  0.133886D+02  0.592531D+01 -0.227635D+01
               191           192           193           194           195 
      1   0.874843D+01  0.844276D+01  0.622168D+02 -0.383727D+02 -0.507719D+01
      2   0.371841D+01 -0.163766D+01 -0.251156D+02  0.392187D+02  0.960436D+01
      3  -0.124668D+02 -0.680510D+01 -0.371012D+02 -0.846003D+00 -0.452716D+01
      4   0.153719D+02  0.238920D+01 -0.412793D+02  0.537748D+02  0.359021D+01
      5   0.335629D+01  0.129319D+01 -0.105839D+02  0.798137D+01  0.315237D+01
      6   0.263498D+00  0.298559D+01 -0.343395D+01  0.752917D+01 -0.314324D+01
               196           197           198           199           200 
      1   0.119761D+02 -0.113271D+02  0.228642D+02 -0.110519D+03  0.159136D+02
      2  -0.679169D+01  0.105025D+02 -0.197358D+02  0.456919D+02 -0.163668D+02
      3  -0.518441D+01  0.824634D+00 -0.312836D+01  0.648269D+02  0.453279D+00
      4  -0.164105D+02  0.917811D+01  0.270909D+01  0.237413D+02 -0.261525D+02
      5   0.473249D+02  0.880805D+01  0.789639D+01 -0.782535D+01 -0.266621D+01
      6   0.175910D+01  0.509305D+01 -0.286429D+01  0.175315D+01 -0.360850D+01
               201           202           203           204           205 
      1  -0.673234D+01 -0.933559D+02  0.139621D+02 -0.273923D+01 -0.290004D+02
      2   0.219363D+01  0.560107D+02 -0.207983D+02 -0.664857D+00  0.171864D+02
      3   0.453871D+01  0.373453D+02  0.683613D+01  0.340409D+01  0.118140D+02
      4  -0.588620D+00  0.233830D+02 -0.187766D+02  0.384555D+01  0.920543D+01
      5   0.623382D+01 -0.263536D+01  0.202993D+01 -0.889439D+01  0.366793D+01
      6  -0.118901D+01  0.619072D+01 -0.715052D+01  0.590549D+01 -0.230349D+01
               206           207           208           209           210 
      1   0.107251D+02 -0.143355D+02  0.350887D+02  0.675598D+01  0.162855D+01
      2  -0.104982D+02 -0.232300D+01 -0.214614D+02 -0.543606D+01 -0.285324D+01
      3  -0.226930D+00  0.166585D+02 -0.136273D+02 -0.131992D+01  0.122468D+01
      4  -0.174324D+00 -0.172306D+02  0.148409D+02  0.963582D+01 -0.108188D+01
      5  -0.217554D+02 -0.116444D+02  0.822679D+01 -0.175336D+01  0.221314D+02
      6   0.854062D+01 -0.103587D+01  0.368271D+00  0.202318D+01 -0.291174D+01
               211           212           213           214           215 
      1   0.892623D+01  0.606603D+01  0.413004D+01  0.213398D+01 -0.102588D+00
      2  -0.467597D+01 -0.254208D+01 -0.471195D+01 -0.347027D+01 -0.182340D+01
      3  -0.425026D+01 -0.352396D+01  0.581907D+00  0.133630D+01  0.192599D+01
      4   0.334972D+02  0.174052D+02  0.641108D+01  0.424009D+01  0.149997D+01
      5   0.614383D+01  0.438096D+01 -0.131647D+02  0.147719D+02  0.598035D+01
      6   0.959060D+00 -0.148845D+01  0.104828D+02  0.171421D+01  0.379698D+01
               216           217           218           219           220 
      1   0.448080D+01 -0.804312D+02 -0.883877D+01 -0.168606D+02 -0.186560D+02
      2  -0.436977D+01  0.467905D+02  0.131899D+01  0.101514D+02  0.721374D+01
      3  -0.111028D+00  0.336408D+02  0.751978D+01  0.670920D+01  0.114423D+02
      4   0.721008D+01 -0.154802D+02  0.264546D+02 -0.402457D+01 -0.737903D+01
      5   0.444465D+01 -0.163844D+02 -0.428491D+01  0.100990D+02 -0.903449D+01
      6   0.258250D+01  0.690125D+00  0.320949D+01 -0.400819D+01 -0.169098D+00
               221           222           223           224           225 
      1   0.166673D+02 -0.153014D+02 -0.130578D+02 -0.102917D+02  0.117418D+02
      2  -0.982397D+01  0.120531D+02  0.431599D+01  0.886884D+01 -0.962368D+01
      3  -0.684333D+01  0.324837D+01  0.874184D+01  0.142291D+01 -0.211811D+01
      4   0.549996D+01 -0.154078D+02 -0.767668D+01 -0.857316D+01  0.375915D+02
      5  -0.150277D+02  0.597510D+02 -0.174985D+02  0.381891D+02  0.292986D+02
      6   0.767673D+01 -0.222111D+02  0.106912D+02 -0.157556D+02 -0.567370D+01
               226           227           228           229           230 
      1  -0.744328D+01  0.170399D+02  0.162660D+01  0.780317D+01 -0.529092D+02
      2   0.883977D+01 -0.191302D+02 -0.161603D+01 -0.859052D+01  0.668433D+02
      3  -0.139649D+01  0.209028D+01 -0.105677D-01  0.787350D+00 -0.139341D+02
      4  -0.209503D+01  0.526563D+01  0.795485D+00  0.265467D+01  0.128982D+02
      5  -0.788039D+00  0.137613D+01  0.109817D+01  0.242648D+00 -0.701349D+00
      6   0.802958D+00 -0.135748D+01 -0.233931D+01 -0.144623D+01  0.803043D+01
               231           232           233           234           235 
      1  -0.752158D+01  0.155679D+00 -0.688632D+01 -0.221297D+01  0.259076D+02
      2   0.745508D+01 -0.747092D+00  0.805777D+01  0.280184D+01 -0.320491D+01
      3   0.664977D-01  0.591413D+00 -0.117145D+01 -0.588862D+00 -0.227026D+02
      4   0.151784D+01 -0.102926D+00  0.268095D+01 -0.665943D+00  0.452601D+02
      5   0.128343D+01  0.205927D+01 -0.370698D+00  0.201394D+00  0.106148D+02
      6   0.799012D+01  0.297918D+00  0.467059D+01  0.189294D+01  0.649521D+01
               236           237           238           239           240 
      1   0.142121D+02  0.443829D+01  0.115604D+02  0.235011D+01  0.754342D+00
      2   0.352838D+01 -0.940422D+00  0.102033D+02  0.216793D+02  0.291036D+01
      3  -0.177404D+02 -0.349787D+01 -0.217637D+02 -0.240294D+02 -0.366470D+01
      4   0.392014D+02  0.100199D+02  0.466748D+02  0.571575D+02  0.126046D+02
      5   0.771260D+01  0.785981D+01  0.961065D+01  0.964224D+01  0.861404D+01
      6   0.552614D+01  0.475942D+01  0.804882D+01  0.987001D+01  0.778311D+01
               241           242           243           244           245 
      1   0.532125D+01  0.179431D+01 -0.379664D+00  0.127486D+02 -0.107904D+02
      2   0.131009D+01  0.303254D+01  0.185859D+01 -0.395128D+01  0.300786D+01
      3  -0.663134D+01 -0.482685D+01 -0.147893D+01 -0.879731D+01  0.778249D+01
      4   0.134750D+02  0.134081D+02  0.711061D+01 -0.186587D+02  0.150907D+02
      5   0.294423D+01  0.527616D+01  0.376901D+01 -0.207036D+01  0.123842D+01
      6   0.154075D+01  0.516225D+01  0.308215D+01  0.388924D+00 -0.291769D-01
               246           247           248           249           250 
      1  -0.537055D+00 -0.118024D+02 -0.331625D+01 -0.106597D+01 -0.603940D+00
      2   0.120250D+00 -0.763809D+00  0.159397D+02  0.903932D+00 -0.177725D+00
      3   0.416805D+00  0.125662D+02 -0.126234D+02  0.162034D+00  0.781665D+00
      4   0.619603D+00  0.262708D+02 -0.388753D+02 -0.405469D+01  0.252102D+01
      5   0.140712D+01  0.360978D+01 -0.656163D+01 -0.475668D+01  0.100632D+01
      6  -0.650910D+00 -0.154396D+01  0.324512D+01  0.424002D+01 -0.198703D+01
               251           252           253           254           255 
      1  -0.179882D+01 -0.173871D+01  0.204721D+03 -0.319076D+01  0.179916D+02
      2   0.236128D+01  0.215593D+01 -0.107513D+03 -0.168744D+00 -0.104256D+02
      3  -0.562460D+00 -0.417228D+00 -0.972083D+02  0.335950D+01 -0.756601D+01
      4  -0.526801D+01 -0.110161D+01 -0.205507D+02  0.150732D+02 -0.182088D+01
      5  -0.407680D+00 -0.678740D+00  0.203570D+02 -0.381789D+00  0.186021D+02
      6   0.192829D+01  0.119175D+01 -0.327688D+01  0.707649D+00 -0.235379D+01
               256           257           258           259           260 
      1   0.228267D+02  0.149121D+02  0.271893D+01  0.228972D+02  0.472280D+00
      2  -0.142854D+02 -0.756640D+01 -0.212453D+01 -0.134829D+02 -0.924955D+00
      3  -0.854130D+01 -0.734570D+01 -0.594397D+00 -0.941430D+01  0.452675D+00
      4   0.166547D+02  0.384104D+01  0.330676D+01 -0.269155D+01  0.374805D+01
      5   0.179692D+01  0.352788D+01  0.421375D+00  0.248275D+02 -0.346433D+01
      6   0.560380D+00 -0.514609D+00  0.167338D+01 -0.273117D+01  0.251054D+01
               261           262           263           264           265 
      1   0.168544D+02  0.626347D+01 -0.210096D+01 -0.941859D+01 -0.532348D+01
      2  -0.995810D+01 -0.364161D+01  0.176987D+01  0.380402D+01  0.574554D+00
      3  -0.689634D+01 -0.262187D+01  0.331092D+00  0.561457D+01  0.474893D+01
      4  -0.455102D+01  0.686005D+00 -0.203204D+01  0.389716D+01  0.190326D+02
      5   0.520533D+01 -0.904127D+01  0.271707D+01 -0.245019D+01  0.137400D+02
      6  -0.502536D+00  0.255384D+01 -0.587127D+00  0.216948D+01 -0.498976D+01
               266           267           268           269           270 
      1   0.232571D+01  0.358891D+01 -0.356246D+02  0.973078D+01  0.355525D+01
      2   0.247884D+01  0.658766D+00  0.201782D+02 -0.338559D+01 -0.781909D+01
      3  -0.480454D+01 -0.424768D+01  0.154464D+02 -0.634520D+01  0.426384D+01
      4  -0.200341D+02 -0.162561D+02  0.276795D+02 -0.219296D+02 -0.250909D+02
      5  -0.165321D+02 -0.236742D+02  0.362470D+02 -0.254986D+02 -0.635984D+02
      6   0.653268D+01  0.108803D+02 -0.111232D+02  0.109731D+02  0.175757D+02
               271           272           273           274           275 
      1  -0.641064D+01 -0.488515D+01  0.118025D+02 -0.102180D+02 -0.549780D+01
      2   0.294487D+01  0.458147D+01 -0.595148D+01  0.161604D+01  0.132919D+02
      3   0.346577D+01  0.303680D+00 -0.585105D+01  0.860200D+01 -0.779410D+01
      4   0.468284D+01 -0.788421D+01  0.318800D+01  0.251636D+02 -0.410913D+02
      5   0.578007D+01  0.396340D+01 -0.953658D+01 -0.110947D+02  0.250378D+02
      6  -0.111721D+01 -0.358789D+01  0.543107D+01  0.674725D+01 -0.149990D+02
               276           277           278           279 
      1   0.667512D+01  0.224589D+02  0.200490D+01 -0.822857D+01
      2  -0.812780D+01 -0.992651D+01 -0.426404D+01  0.212787D+01
      3   0.145268D+01 -0.125324D+02  0.225914D+01  0.610069D+01
      4   0.264242D+02 -0.190611D+02  0.263332D+02 -0.269075D+02
      5  -0.279306D+02  0.193584D+02 -0.266282D+02  0.337376D+02
      6   0.145107D+02 -0.887184D+01  0.144297D+02 -0.155676D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Tue Aug 17 19:45:30 2021, MaxMem=  5368709120 cpu:           41266.0 elap:            5165.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.18924 -19.18883 -19.12819 -10.32058 -10.26576
 Alpha  occ. eigenvalues --  -10.25585 -10.22028 -10.21523 -10.21466 -10.21109
 Alpha  occ. eigenvalues --  -10.20804 -10.20800 -10.20589 -10.20524 -10.20364
 Alpha  occ. eigenvalues --  -10.20065 -10.19673  -1.09662  -1.07743  -1.01515
 Alpha  occ. eigenvalues --   -0.89142  -0.84765  -0.80541  -0.78389  -0.75824
 Alpha  occ. eigenvalues --   -0.73400  -0.71151  -0.66688  -0.63815  -0.62249
 Alpha  occ. eigenvalues --   -0.61515  -0.60407  -0.55228  -0.54173  -0.53232
 Alpha  occ. eigenvalues --   -0.51639  -0.48958  -0.48673  -0.47309  -0.46800
 Alpha  occ. eigenvalues --   -0.46476  -0.45410  -0.44300  -0.44181  -0.42877
 Alpha  occ. eigenvalues --   -0.41691  -0.41585  -0.40532  -0.39471  -0.38338
 Alpha  occ. eigenvalues --   -0.37873  -0.37552  -0.36293  -0.35847  -0.34594
 Alpha  occ. eigenvalues --   -0.32606  -0.32441  -0.30851  -0.27930  -0.25411
 Alpha  occ. eigenvalues --   -0.23159
 Alpha virt. eigenvalues --   -0.06213  -0.03420  -0.00835   0.00074   0.00523
 Alpha virt. eigenvalues --    0.01222   0.02445   0.03506   0.03790   0.04281
 Alpha virt. eigenvalues --    0.05079   0.05894   0.06301   0.07087   0.07300
 Alpha virt. eigenvalues --    0.07651   0.08786   0.09303   0.09726   0.10168
 Alpha virt. eigenvalues --    0.10826   0.11401   0.11489   0.11613   0.12298
 Alpha virt. eigenvalues --    0.12716   0.13362   0.13960   0.14622   0.14766
 Alpha virt. eigenvalues --    0.15207   0.15506   0.16053   0.16830   0.17294
 Alpha virt. eigenvalues --    0.17810   0.18121   0.18456   0.18964   0.19386
 Alpha virt. eigenvalues --    0.19899   0.20356   0.20792   0.21346   0.22048
 Alpha virt. eigenvalues --    0.22523   0.23295   0.23590   0.23723   0.23921
 Alpha virt. eigenvalues --    0.24495   0.24926   0.25672   0.26014   0.26792
 Alpha virt. eigenvalues --    0.26974   0.27471   0.27699   0.28424   0.28718
 Alpha virt. eigenvalues --    0.29041   0.29303   0.29693   0.30053   0.30484
 Alpha virt. eigenvalues --    0.30970   0.31528   0.31717   0.31990   0.32465
 Alpha virt. eigenvalues --    0.32883   0.33002   0.33500   0.33846   0.34032
 Alpha virt. eigenvalues --    0.34577   0.34950   0.35350   0.35636   0.35769
 Alpha virt. eigenvalues --    0.35912   0.36247   0.36400   0.36670   0.37315
 Alpha virt. eigenvalues --    0.37650   0.37872   0.38288   0.38859   0.39200
 Alpha virt. eigenvalues --    0.39302   0.39864   0.40294   0.40603   0.40871
 Alpha virt. eigenvalues --    0.41533   0.41754   0.42046   0.42206   0.42437
 Alpha virt. eigenvalues --    0.43042   0.43320   0.43495   0.43753   0.44622
 Alpha virt. eigenvalues --    0.45202   0.45388   0.45979   0.46128   0.46718
 Alpha virt. eigenvalues --    0.47270   0.47515   0.47670   0.48543   0.48864
 Alpha virt. eigenvalues --    0.49054   0.49174   0.49360   0.50100   0.50762
 Alpha virt. eigenvalues --    0.51072   0.51774   0.51837   0.52259   0.52718
 Alpha virt. eigenvalues --    0.53227   0.53502   0.54393   0.54907   0.55513
 Alpha virt. eigenvalues --    0.55997   0.56287   0.56870   0.57283   0.58155
 Alpha virt. eigenvalues --    0.58180   0.58584   0.59333   0.59578   0.59730
 Alpha virt. eigenvalues --    0.60495   0.60969   0.62164   0.62310   0.62895
 Alpha virt. eigenvalues --    0.63443   0.64013   0.64274   0.65155   0.65434
 Alpha virt. eigenvalues --    0.65604   0.66123   0.66942   0.67260   0.67868
 Alpha virt. eigenvalues --    0.68473   0.69152   0.69544   0.70394   0.71125
 Alpha virt. eigenvalues --    0.71417   0.72051   0.72604   0.72972   0.73584
 Alpha virt. eigenvalues --    0.73847   0.74460   0.74900   0.75658   0.75681
 Alpha virt. eigenvalues --    0.77565   0.77686   0.78282   0.78531   0.78635
 Alpha virt. eigenvalues --    0.79967   0.82159   0.82375   0.82767   0.83507
 Alpha virt. eigenvalues --    0.83599   0.84417   0.85230   0.86493   0.87077
 Alpha virt. eigenvalues --    0.87844   0.88433   0.89871   0.90742   0.91590
 Alpha virt. eigenvalues --    0.92271   0.92631   0.94504   0.95168   0.95377
 Alpha virt. eigenvalues --    0.96188   0.96444   0.97376   0.98019   0.98272
 Alpha virt. eigenvalues --    0.99496   1.00393   1.00687   1.01009   1.01284
 Alpha virt. eigenvalues --    1.01921   1.03017   1.03316   1.03465   1.04075
 Alpha virt. eigenvalues --    1.04816   1.06577   1.06742   1.08918   1.10461
 Alpha virt. eigenvalues --    1.10905   1.12120   1.13602   1.13903   1.14592
 Alpha virt. eigenvalues --    1.15207   1.16566   1.18322   1.18616   1.18953
 Alpha virt. eigenvalues --    1.19544   1.21216   1.21583   1.22855   1.23789
 Alpha virt. eigenvalues --    1.24285   1.25667   1.26000   1.27813   1.28193
 Alpha virt. eigenvalues --    1.29450   1.30687   1.31576   1.32524   1.33511
 Alpha virt. eigenvalues --    1.34622   1.35582   1.36450   1.36979   1.38398
 Alpha virt. eigenvalues --    1.39361   1.41567   1.41901   1.43294   1.45244
 Alpha virt. eigenvalues --    1.46005   1.47598   1.48014   1.48734   1.49804
 Alpha virt. eigenvalues --    1.51208   1.51996   1.53425   1.54961   1.55606
 Alpha virt. eigenvalues --    1.58280   1.58774   1.59574   1.60106   1.61082
 Alpha virt. eigenvalues --    1.61950   1.63024   1.64355   1.65404   1.66132
 Alpha virt. eigenvalues --    1.66299   1.67071   1.67792   1.69140   1.70171
 Alpha virt. eigenvalues --    1.71294   1.71506   1.73807   1.74847   1.76400
 Alpha virt. eigenvalues --    1.77086   1.78350   1.78532   1.80464   1.82288
 Alpha virt. eigenvalues --    1.83807   1.84467   1.85980   1.86307   1.86868
 Alpha virt. eigenvalues --    1.87344   1.88459   1.89056   1.89777   1.91189
 Alpha virt. eigenvalues --    1.92047   1.92944   1.93769   1.94601   1.95930
 Alpha virt. eigenvalues --    1.97565   1.98025   1.98660   2.00296   2.00530
 Alpha virt. eigenvalues --    2.02632   2.02711   2.03276   2.04150   2.06006
 Alpha virt. eigenvalues --    2.06317   2.07036   2.07192   2.09028   2.09771
 Alpha virt. eigenvalues --    2.10792   2.11668   2.12431   2.12919   2.15518
 Alpha virt. eigenvalues --    2.17995   2.19354   2.20451   2.21615   2.22489
 Alpha virt. eigenvalues --    2.23205   2.23763   2.26514   2.28191   2.28377
 Alpha virt. eigenvalues --    2.29310   2.29713   2.30689   2.32991   2.34880
 Alpha virt. eigenvalues --    2.35467   2.37173   2.38373   2.39682   2.40634
 Alpha virt. eigenvalues --    2.42412   2.43492   2.43656   2.44898   2.45758
 Alpha virt. eigenvalues --    2.46598   2.50026   2.50932   2.52955   2.54727
 Alpha virt. eigenvalues --    2.55893   2.56127   2.56757   2.58312   2.60028
 Alpha virt. eigenvalues --    2.63726   2.65866   2.67565   2.69435   2.72312
 Alpha virt. eigenvalues --    2.77079   2.78394   2.82056   2.85127   2.86538
 Alpha virt. eigenvalues --    2.87708   2.89669   2.91144   2.91547   2.93358
 Alpha virt. eigenvalues --    2.93899   2.94172   2.95390   2.96720   2.99053
 Alpha virt. eigenvalues --    2.99992   3.03193   3.04090   3.07356   3.08269
 Alpha virt. eigenvalues --    3.09473   3.10642   3.11644   3.13693   3.14605
 Alpha virt. eigenvalues --    3.15256   3.19268   3.20047   3.21353   3.25638
 Alpha virt. eigenvalues --    3.26699   3.32183   3.45452   3.46850   3.59295
 Alpha virt. eigenvalues --    3.59594   3.62405   3.79519   3.83573   3.99628
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   13.665294  -2.213867  -1.654949  -0.020590  -0.481550  -0.204916
     2  C   -2.213867  13.641295   0.349776  -0.989545   0.531247  -1.287957
     3  C   -1.654949   0.349776   9.876705  -0.929316   0.014256  -0.347246
     4  C   -0.020590  -0.989545  -0.929316  12.325342  -1.338834   0.663113
     5  C   -0.481550   0.531247   0.014256  -1.338834  10.037787  -0.763400
     6  C   -0.204916  -1.287957  -0.347246   0.663113  -0.763400   9.199863
     7  C   -0.616936  -0.685676  -0.447138   0.103711   0.058732   0.184918
     8  H   -1.090903   0.163943  -0.249210  -1.841126   0.180161   0.193390
     9  H    0.207658  -0.100336   0.028981  -1.042795   0.280682  -0.961490
    10  H    0.169461  -1.348362   0.163422   0.024131  -1.273567  -0.096799
    11  C    0.051885   0.175314  -0.722013  -0.427094  -0.857954   0.070794
    12  C    0.002740  -0.009317  -0.042628   0.050797   0.100837  -0.001213
    13  C   -0.039314   0.007281   0.065766   0.378097   0.020232  -0.001915
    14  H    0.007279   0.013803   0.048787  -0.141788  -0.177159   0.025951
    15  H    0.008615   0.000383  -0.082220   0.020720   0.000697  -0.000570
    16  H   -0.005514  -0.001219   0.025375  -0.127653   0.015303   0.000575
    17  H   -0.002268  -0.000148   0.038008   0.019421  -0.013172   0.000345
    18  O    0.002944  -0.002094   0.001028  -0.039576   0.015223  -0.005558
    19  O    0.015610   0.000307  -0.015770  -0.038823  -0.004203   0.008718
    20  H   -0.005404  -0.006165   0.042333  -0.028824  -0.022331   0.002186
    21  C    0.170003  -0.407366   0.045930  -0.004091  -0.005042  -0.044466
    22  C   -0.882109   0.205467   0.059614   0.024853   0.006447   0.102137
    23  C   -0.268179  -0.964966   0.026580   0.164256   0.005222  -0.916187
    24  O    0.058111   0.040282  -0.007182  -0.001766  -0.000341  -0.006271
    25  C   -0.010980   0.010780   0.000130  -0.000205   0.000292  -0.009024
    26  H   -0.428840   0.145870  -0.092972   0.019969  -0.017379  -0.017239
    27  H   -0.037537   0.023814   0.002993   0.000798   0.000694   0.001946
    28  H    0.086659  -0.385518  -0.005798  -0.010306   0.039299   0.076340
    29  H   -0.001232  -0.005211   0.000024   0.000005  -0.000002  -0.000010
    30  H    0.000868   0.007065  -0.000089  -0.000002   0.000065   0.000268
    31  H    0.000742   0.005907  -0.000022   0.000003   0.000136  -0.000449
               7          8          9         10         11         12
     1  C   -0.616936  -1.090903   0.207658   0.169461   0.051885   0.002740
     2  C   -0.685676   0.163943  -0.100336  -1.348362   0.175314  -0.009317
     3  C   -0.447138  -0.249210   0.028981   0.163422  -0.722013  -0.042628
     4  C    0.103711  -1.841126  -1.042795   0.024131  -0.427094   0.050797
     5  C    0.058732   0.180161   0.280682  -1.273567  -0.857954   0.100837
     6  C    0.184918   0.193390  -0.961490  -0.096799   0.070794  -0.001213
     7  C    8.388244  -0.307315  -0.002554  -0.000071   0.007589  -0.005900
     8  H   -0.307315   4.268652   0.032827  -0.022202  -0.157694  -0.085103
     9  H   -0.002554   0.032827   4.146398  -0.996488  -0.653335   0.029768
    10  H   -0.000071  -0.022202  -0.996488   4.118186   0.042222  -0.000533
    11  C    0.007589  -0.157694  -0.653335   0.042222   8.270220   0.197799
    12  C   -0.005900  -0.085103   0.029768  -0.000533   0.197799   4.087808
    13  C    0.000483  -0.010508   0.057101   0.000646  -0.775344   0.013383
    14  H   -0.000441   0.010881  -0.142930   0.004708   0.345292  -0.094037
    15  H    0.000186  -0.098893   0.004288   0.000057   0.151927   0.279613
    16  H   -0.004369   0.043338   0.003511  -0.000035   0.055960   0.274294
    17  H    0.000340   0.018468  -0.003044   0.000010   0.262774   0.004997
    18  O   -0.000199   0.001892   0.004420  -0.000665   0.056621   0.026365
    19  O   -0.000164  -0.002741  -0.018884   0.001283   0.129460  -0.011183
    20  H    0.001061  -0.008288   0.002750  -0.000147  -0.078115   0.000722
    21  C   -0.301363   0.058990   0.001049  -0.023396   0.000582   0.000121
    22  C    0.586538   0.002694   0.001181  -0.030508  -0.000986  -0.000076
    23  C   -0.466657  -0.016601  -0.000289  -0.212717   0.001644  -0.000321
    24  O   -0.002550  -0.001061   0.000028   0.001002   0.000004   0.000001
    25  C   -0.005309  -0.000017  -0.000004  -0.001472  -0.000009   0.000000
    26  H   -0.712356  -0.263447   0.000491   0.000499   0.001666  -0.002018
    27  H   -0.050763   0.003538  -0.000021   0.000531  -0.000066   0.000020
    28  H    0.077738   0.002821  -0.001539  -0.092540   0.000073  -0.000015
    29  H    0.000249   0.000001   0.000000   0.000016  -0.000000   0.000000
    30  H    0.000371  -0.000003   0.000002  -0.000192  -0.000001   0.000000
    31  H    0.000293  -0.000002   0.000006  -0.000468  -0.000001   0.000000
              13         14         15         16         17         18
     1  C   -0.039314   0.007279   0.008615  -0.005514  -0.002268   0.002944
     2  C    0.007281   0.013803   0.000383  -0.001219  -0.000148  -0.002094
     3  C    0.065766   0.048787  -0.082220   0.025375   0.038008   0.001028
     4  C    0.378097  -0.141788   0.020720  -0.127653   0.019421  -0.039576
     5  C    0.020232  -0.177159   0.000697   0.015303  -0.013172   0.015223
     6  C   -0.001915   0.025951  -0.000570   0.000575   0.000345  -0.005558
     7  C    0.000483  -0.000441   0.000186  -0.004369   0.000340  -0.000199
     8  H   -0.010508   0.010881  -0.098893   0.043338   0.018468   0.001892
     9  H    0.057101  -0.142930   0.004288   0.003511  -0.003044   0.004420
    10  H    0.000646   0.004708   0.000057  -0.000035   0.000010  -0.000665
    11  C   -0.775344   0.345292   0.151927   0.055960   0.262774   0.056621
    12  C    0.013383  -0.094037   0.279613   0.274294   0.004997   0.026365
    13  C    6.214153  -0.015032  -0.041945  -0.018479   0.032445  -0.192764
    14  H   -0.015032   0.963813  -0.017522  -0.035261   0.035538  -0.036981
    15  H   -0.041945  -0.017522   0.931332   0.011766  -0.185730   0.010837
    16  H   -0.018479  -0.035261   0.011766   0.754448  -0.060614   0.015362
    17  H    0.032445   0.035538  -0.185730  -0.060614   1.151406  -0.023118
    18  O   -0.192764  -0.036981   0.010837   0.015362  -0.023118   8.523717
    19  O   -0.274747   0.019485   0.005573  -0.002921  -0.001305   0.119174
    20  H    0.156752  -0.003402   0.000537   0.005174  -0.000616  -0.015039
    21  C    0.000115   0.000037  -0.000005   0.000200  -0.000006  -0.000000
    22  C    0.000386  -0.000031  -0.000011   0.000014   0.000003  -0.000017
    23  C   -0.000293   0.000030  -0.000008  -0.000009  -0.000009   0.000052
    24  O   -0.000022  -0.000001   0.000000  -0.000001  -0.000000   0.000001
    25  C   -0.000001  -0.000000  -0.000000  -0.000000   0.000000   0.000000
    26  H    0.000647  -0.000071  -0.000039  -0.002056   0.000038  -0.000049
    27  H    0.000000  -0.000000  -0.000001   0.000009  -0.000000   0.000000
    28  H   -0.000069   0.000008  -0.000003  -0.000000  -0.000000   0.000003
    29  H    0.000000  -0.000000  -0.000000   0.000000  -0.000000   0.000000
    30  H    0.000000  -0.000000   0.000000  -0.000000   0.000000   0.000000
    31  H   -0.000000  -0.000000  -0.000000  -0.000000   0.000000   0.000000
              19         20         21         22         23         24
     1  C    0.015610  -0.005404   0.170003  -0.882109  -0.268179   0.058111
     2  C    0.000307  -0.006165  -0.407366   0.205467  -0.964966   0.040282
     3  C   -0.015770   0.042333   0.045930   0.059614   0.026580  -0.007182
     4  C   -0.038823  -0.028824  -0.004091   0.024853   0.164256  -0.001766
     5  C   -0.004203  -0.022331  -0.005042   0.006447   0.005222  -0.000341
     6  C    0.008718   0.002186  -0.044466   0.102137  -0.916187  -0.006271
     7  C   -0.000164   0.001061  -0.301363   0.586538  -0.466657  -0.002550
     8  H   -0.002741  -0.008288   0.058990   0.002694  -0.016601  -0.001061
     9  H   -0.018884   0.002750   0.001049   0.001181  -0.000289   0.000028
    10  H    0.001283  -0.000147  -0.023396  -0.030508  -0.212717   0.001002
    11  C    0.129460  -0.078115   0.000582  -0.000986   0.001644   0.000004
    12  C   -0.011183   0.000722   0.000121  -0.000076  -0.000321   0.000001
    13  C   -0.274747   0.156752   0.000115   0.000386  -0.000293  -0.000022
    14  H    0.019485  -0.003402   0.000037  -0.000031   0.000030  -0.000001
    15  H    0.005573   0.000537  -0.000005  -0.000011  -0.000008   0.000000
    16  H   -0.002921   0.005174   0.000200   0.000014  -0.000009  -0.000001
    17  H   -0.001305  -0.000616  -0.000006   0.000003  -0.000009  -0.000000
    18  O    0.119174  -0.015039  -0.000000  -0.000017   0.000052   0.000001
    19  O    8.246854   0.158637   0.000064  -0.000147   0.000039   0.000003
    20  H    0.158637   0.539855  -0.000298   0.000071  -0.000303  -0.000004
    21  C    0.000064  -0.000298   8.241681  -0.980875   0.118678  -0.035839
    22  C   -0.000147   0.000071  -0.980875   9.125471  -1.008438  -0.207631
    23  C    0.000039  -0.000303   0.118678  -1.008438   9.842383   0.257399
    24  O    0.000003  -0.000004  -0.035839  -0.207631   0.257399   8.880233
    25  C    0.000000   0.000000  -0.007156   0.140691   0.003442   0.113897
    26  H   -0.001039   0.000224  -0.808612   0.134126   0.082113   0.013720
    27  H    0.000007   0.000001   0.024844  -0.459568   0.031985   0.059878
    28  H   -0.000004  -0.000008   0.110339  -1.006200  -0.979352  -0.273200
    29  H   -0.000000  -0.000000   0.015343   0.023274   0.075917  -0.311279
    30  H    0.000000  -0.000000   0.000349   0.026294   0.003945   0.129545
    31  H    0.000000   0.000000   0.000227   0.021910   0.007757   0.127836
              25         26         27         28         29         30
     1  C   -0.010980  -0.428840  -0.037537   0.086659  -0.001232   0.000868
     2  C    0.010780   0.145870   0.023814  -0.385518  -0.005211   0.007065
     3  C    0.000130  -0.092972   0.002993  -0.005798   0.000024  -0.000089
     4  C   -0.000205   0.019969   0.000798  -0.010306   0.000005  -0.000002
     5  C    0.000292  -0.017379   0.000694   0.039299  -0.000002   0.000065
     6  C   -0.009024  -0.017239   0.001946   0.076340  -0.000010   0.000268
     7  C   -0.005309  -0.712356  -0.050763   0.077738   0.000249   0.000371
     8  H   -0.000017  -0.263447   0.003538   0.002821   0.000001  -0.000003
     9  H   -0.000004   0.000491  -0.000021  -0.001539   0.000000   0.000002
    10  H   -0.001472   0.000499   0.000531  -0.092540   0.000016  -0.000192
    11  C   -0.000009   0.001666  -0.000066   0.000073  -0.000000  -0.000001
    12  C    0.000000  -0.002018   0.000020  -0.000015   0.000000   0.000000
    13  C   -0.000001   0.000647   0.000000  -0.000069   0.000000   0.000000
    14  H   -0.000000  -0.000071  -0.000000   0.000008  -0.000000  -0.000000
    15  H   -0.000000  -0.000039  -0.000001  -0.000003  -0.000000   0.000000
    16  H   -0.000000  -0.002056   0.000009  -0.000000   0.000000  -0.000000
    17  H    0.000000   0.000038  -0.000000  -0.000000  -0.000000   0.000000
    18  O    0.000000  -0.000049   0.000000   0.000003   0.000000   0.000000
    19  O    0.000000  -0.001039   0.000007  -0.000004  -0.000000   0.000000
    20  H    0.000000   0.000224   0.000001  -0.000008  -0.000000  -0.000000
    21  C   -0.007156  -0.808612   0.024844   0.110339   0.015343   0.000349
    22  C    0.140691   0.134126  -0.459568  -1.006200   0.023274   0.026294
    23  C    0.003442   0.082113   0.031985  -0.979352   0.075917   0.003945
    24  O    0.113897   0.013720   0.059878  -0.273200  -0.311279   0.129545
    25  C    3.968821   0.001229  -0.022780  -0.084230   0.345642   0.184567
    26  H    0.001229   2.891511  -0.283490  -0.011573  -0.000049   0.000067
    27  H   -0.022780  -0.283490   1.617212   0.018806   0.000700   0.000865
    28  H   -0.084230  -0.011573   0.018806   3.220355   0.090661  -0.060605
    29  H    0.345642  -0.000049   0.000700   0.090661   2.045314  -0.266438
    30  H    0.184567   0.000067   0.000865  -0.060605  -0.266438   0.842262
    31  H    0.186369   0.000067   0.000864  -0.055579  -0.265083   0.008564
              31
     1  C    0.000742
     2  C    0.005907
     3  C   -0.000022
     4  C    0.000003
     5  C    0.000136
     6  C   -0.000449
     7  C    0.000293
     8  H   -0.000002
     9  H    0.000006
    10  H   -0.000468
    11  C   -0.000001
    12  C    0.000000
    13  C   -0.000000
    14  H   -0.000000
    15  H   -0.000000
    16  H   -0.000000
    17  H    0.000000
    18  O    0.000000
    19  O    0.000000
    20  H    0.000000
    21  C    0.000227
    22  C    0.021910
    23  C    0.007757
    24  O    0.127836
    25  C    0.186369
    26  H    0.000067
    27  H    0.000864
    28  H   -0.055579
    29  H   -0.265083
    30  H    0.008564
    31  H    0.837935
 Mulliken charges:
               1
     1  C   -0.482777
     2  C   -0.914788
     3  C   -0.193154
     4  C   -0.812882
     5  C   -0.352376
     6  C    0.134163
     7  C    0.199309
     8  H    0.173520
     9  H    0.122571
    10  H    0.573988
    11  C   -0.149217
    12  C    1.183081
    13  C    0.422945
    14  H    0.189045
    15  H    0.000415
    16  H    0.052801
    17  H   -0.273762
    18  O   -0.461580
    19  O   -0.333285
    20  H    0.258640
    21  C   -0.170032
    22  C    0.115430
    23  C    0.212887
    24  O   -0.834793
    25  C    1.185326
    26  H    0.348990
    27  H    0.064721
    28  H    0.243438
    29  H   -0.747842
    30  H    0.122232
    31  H    0.122988
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.482777
     2  C   -0.914788
     3  C   -0.019634
     4  C   -0.812882
     5  C   -0.229804
     6  C    0.708151
     7  C    0.548299
    11  C    0.039828
    12  C    0.962534
    13  C    0.422945
    18  O   -0.461580
    19  O   -0.074645
    21  C   -0.105311
    22  C    0.115430
    23  C    0.456325
    24  O   -0.834793
    25  C    0.682703
 Electronic spatial extent (au):  <R**2>=           5439.2260
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              5.4923    Y=              0.3112    Z=             -2.0381  Tot=              5.8665
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -117.6204   YY=            -92.3646   ZZ=           -105.6654
   XY=            -14.0711   XZ=             10.4185   YZ=              2.9945
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -12.4036   YY=             12.8522   ZZ=             -0.4486
   XY=            -14.0711   XZ=             10.4185   YZ=              2.9945
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            221.5348  YYY=             -0.5456  ZZZ=              3.6319  XYY=              9.7131
  XXY=             -1.0384  XXZ=            -45.9326  XZZ=              4.6769  YZZ=             -0.1503
  YYZ=              1.6789  XYZ=             -5.8503
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6448.6912 YYYY=           -786.6786 ZZZZ=           -422.8791 XXXY=           -383.2479
 XXXZ=            197.7834 YYYX=             17.4790 YYYZ=             16.0018 ZZZX=             10.7977
 ZZZY=             -4.0859 XXYY=          -1089.6087 XXZZ=          -1117.5233 YYZZ=           -213.5171
 XXYZ=             27.9128 YYXZ=              5.8499 ZZXY=             -8.9242
 N-N= 1.136343527858D+03 E-N=-4.055209857360D+03  KE= 7.590716405159D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Tue Aug 17 19:45:31 2021, MaxMem=  5368709120 cpu:               4.3 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.14227647D+00 1.25065099D-01-7.66617786D-01
 Polarizability= 2.74091663D+02 6.13465605D+00 1.61835153D+02
                 1.39699954D+01 7.79260517D+00 1.11052563D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -8.0662   -8.0666        4.5514    4.5490
 2      8.0662    8.0666       -4.4794   -4.4784      -66.5981  -66.6021
 3     -4.5514   -4.5490       94.8157   94.8159        4.4775    4.4784
 4      4.4794    4.4784        0.0000    0.0000       -4.5469   -4.5490
 5    -28.2176  -28.2137        4.5469    4.5490       -8.0647   -8.0666
 6     -4.4775   -4.4784        8.0647    8.0666       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       24.1998   24.1998       13.6470   13.6470
 2     13.4352   13.4352        0.0000    0.0000       13.6470   13.6470
 3     13.4352   13.4352       24.1998   24.1998       -0.0000    0.0000
 4     24.1998   24.1998      -13.4352  -13.4352     -199.8064 -199.8064
 5    -13.6470  -13.6470      284.4476  284.4476       13.4352   13.4352
 6    -84.6412  -84.6412       13.6470   13.6470      -24.1998  -24.1998
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0506    0.0000       32.0312   32.2664      -18.4957  -18.1961
 2    -32.3961  -32.2664       17.7512   17.9136      266.2529  266.4086
 3     18.3304   18.1961     -379.4051 -379.2635      -17.9143  -17.9136
 4    -17.9860  -17.9136        0.0563    0.0000       18.1189   18.1961
 5    112.9066  112.8549      -18.1373  -18.1961       32.4582   32.2664
 6     17.7933   17.9136      -32.4990  -32.2664       -0.0781    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1858    0.0000       44.0451   44.2415      -39.3343  -39.3140
 2    -44.3041  -44.2415      -75.9957  -75.6733      -38.3077  -38.0828
 3     39.5690   39.3140      -38.3097  -38.7694       75.5769   75.6733
 4     75.5928   75.6733        0.0665    0.0000       39.3187   39.3140
 5     76.7946   76.8522      -39.7105  -39.3140       44.3020   44.2415
 6    -75.6721  -75.6733      -44.1187  -44.2415       -0.1960    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     47.6760   47.8545       51.4654   51.5028       56.4532   56.4876
 2    170.1188  170.3537       55.2297   55.1410       56.5900   56.4876
 3    170.1150  170.3537       51.5217   51.5028       90.6541   90.5633
 4     -3.4930   -3.6381     -122.7668 -122.4992      -54.7182  -54.7951
 5     33.8777   34.0757      -74.0812  -74.4036      122.7861  122.4992
 6    129.0516  129.1986      -35.1469  -34.0757        3.6769    3.6381
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.9494   -0.0004    0.0006    0.0009    2.6919    3.8301
 Low frequencies ---   22.5785   40.0282   43.4220
 Diagonal vibrational polarizability:
       54.2745299     157.2293134      89.6418123
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     22.5745                40.0267                43.4213
 Red. masses --      4.6231                 7.2151                 5.8994
 Frc consts  --      0.0014                 0.0068                 0.0066
 IR Inten    --      3.5998                 2.3701                 1.0576
 RamAct Fr= 1--      4.2996                 2.0002                 1.6105
  Dep-P Fr= 1--      0.7486                 0.7378                 0.7420
  Dep-U Fr= 1--      0.8562                 0.8491                 0.8519
 Alpha2 Fr= 1--      0.0001                 0.0004                 0.0002
 Beta2  Fr= 1--      0.6135                 0.2831                 0.2287
 AlphaG Fr= 1--     -0.0006                -0.0060                 0.0081
 Gamma2 Fr= 1--     -2.8862                 2.4167                -1.9146
 Delta2 Fr= 1--     -1.8476                 1.6468                -0.6562
 Raman1 Fr= 1--      17.198                  8.001                  6.442
 ROA1   Fr= 1--    -336.201                284.703               -204.805
 CID1   Fr= 1--     -19.549                 35.584                -31.792
 Raman2 Fr= 1--       7.363                  3.397                  2.744
 ROA2   Fr= 1--     -54.489                 44.828                -40.702
 CID2   Fr= 1--      -7.401                 13.197                -14.833
 Raman3 Fr= 1--      14.725                  6.794                  5.488
 ROA3   Fr= 1--    -336.201                284.703               -204.805
 CID3   Fr= 1--     -22.832                 41.906                -37.320
 RC180  Fr= 1--       0.712                  0.698                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.06    -0.02   0.01  -0.08     0.01  -0.03   0.12
     2   6     0.01  -0.02  -0.05    -0.02   0.01  -0.11     0.01  -0.02   0.08
     3   6    -0.03  -0.07   0.06    -0.02   0.02  -0.08     0.01  -0.03   0.11
     4   6    -0.00  -0.07  -0.02    -0.02   0.02  -0.10     0.01  -0.02   0.07
     5   6     0.03  -0.04  -0.12    -0.02   0.03  -0.17     0.01  -0.02   0.07
     6   6     0.04  -0.02  -0.13    -0.02   0.03  -0.18     0.01  -0.02   0.08
     7   6    -0.05  -0.05   0.15    -0.02  -0.01  -0.01     0.01  -0.03   0.13
     8   1    -0.05  -0.09   0.14    -0.02   0.01  -0.05     0.01  -0.02   0.10
     9   1     0.06  -0.04  -0.19    -0.02   0.04  -0.20     0.01  -0.02   0.06
    10   1     0.07   0.01  -0.21    -0.02   0.04  -0.22     0.01  -0.02   0.06
    11   6    -0.00  -0.09  -0.00    -0.03   0.00  -0.00     0.02  -0.01  -0.02
    12   6    -0.01  -0.15  -0.20    -0.08   0.00   0.06     0.06  -0.00  -0.05
    13   6     0.01   0.09   0.06     0.11  -0.02   0.06    -0.05   0.01  -0.06
    14   1    -0.02  -0.19   0.10    -0.08   0.00   0.02     0.06  -0.01  -0.03
    15   1    -0.02  -0.29  -0.25    -0.15   0.02   0.03     0.13  -0.01  -0.02
    16   1     0.01  -0.04  -0.32    -0.03  -0.01   0.05     0.01  -0.00  -0.04
    17   1    -0.01  -0.16  -0.18    -0.09  -0.01   0.13     0.07   0.01  -0.13
    18   8    -0.03   0.23   0.13     0.19  -0.29   0.15     0.01  -0.21  -0.13
    19   8     0.07   0.08   0.02     0.11   0.32   0.02    -0.20   0.31   0.00
    20   1     0.09  -0.02  -0.03     0.06   0.45  -0.05    -0.21   0.40   0.06
    21   6    -0.05  -0.02   0.14    -0.03  -0.02   0.05     0.01  -0.02   0.07
    22   6    -0.01   0.01   0.03    -0.04  -0.02   0.04     0.02  -0.01  -0.00
    23   6     0.02   0.01  -0.06    -0.03  -0.00  -0.06     0.02  -0.01   0.02
    24   8    -0.01   0.03   0.03    -0.05  -0.05   0.13     0.03   0.01  -0.10
    25   6     0.02   0.06  -0.08    -0.06  -0.06   0.17     0.05   0.03  -0.26
    26   1    -0.08  -0.07   0.23    -0.02  -0.01   0.01     0.00  -0.04   0.17
    27   1    -0.07  -0.02   0.21    -0.03  -0.04   0.11     0.01  -0.02   0.07
    28   1     0.04   0.03  -0.14    -0.03  -0.00  -0.08     0.02  -0.00  -0.03
    29   1     0.02   0.08  -0.07    -0.07  -0.08   0.27     0.06   0.05  -0.35
    30   1     0.04   0.15  -0.12     0.02  -0.05   0.15    -0.04   0.11  -0.28
    31   1     0.05  -0.01  -0.15    -0.14  -0.06   0.13     0.15  -0.04  -0.28
                      4                      5                      6
                      A                      A                      A
 Frequencies --     93.6375               129.7645               139.6709
 Red. masses --      3.9517                 4.2292                 4.4268
 Frc consts  --      0.0204                 0.0420                 0.0509
 IR Inten    --      3.4199                 0.3147                 0.0590
 RamAct Fr= 1--      1.8404                 0.2093                 0.4566
  Dep-P Fr= 1--      0.6971                 0.6374                 0.3843
  Dep-U Fr= 1--      0.8216                 0.7785                 0.5552
 Alpha2 Fr= 1--      0.0017                 0.0004                 0.0036
 Beta2  Fr= 1--      0.2520                 0.0272                 0.0422
 AlphaG Fr= 1--     -0.0052                -0.0060                -0.0180
 Gamma2 Fr= 1--      0.0467                 0.8932                -1.4284
 Delta2 Fr= 1--     -0.3520                 0.5426                -0.5418
 Raman1 Fr= 1--       7.362                  0.837                  1.826
 ROA1   Fr= 1--      -6.785                103.110               -154.464
 CID1   Fr= 1--      -0.922                123.172                -84.571
 Raman2 Fr= 1--       3.024                  0.326                  0.507
 ROA2   Fr= 1--       3.936                 17.096                -29.947
 CID2   Fr= 1--       1.302                 52.463                -59.066
 Raman3 Fr= 1--       6.048                  0.652                  1.014
 ROA3   Fr= 1--      -6.785                103.110               -154.464
 CID3   Fr= 1--      -1.122                158.210               -152.332
 RC180  Fr= 1--       0.643                  0.557                  0.110
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.03     0.01  -0.07  -0.12     0.05   0.10  -0.09
     2   6     0.04   0.01  -0.09     0.03  -0.06  -0.10     0.04   0.10  -0.10
     3   6     0.00  -0.04   0.13     0.01  -0.08  -0.08     0.02   0.09  -0.01
     4   6     0.01  -0.03   0.09    -0.01  -0.09   0.00     0.02   0.06   0.09
     5   6     0.03  -0.01  -0.03     0.00  -0.09   0.00     0.03   0.06   0.07
     6   6     0.04   0.01  -0.12     0.02  -0.07  -0.07     0.04   0.09  -0.04
     7   6     0.01  -0.01   0.02    -0.03  -0.04  -0.12     0.09   0.07  -0.09
     8   1    -0.01  -0.05   0.21     0.03  -0.08  -0.10     0.01   0.08  -0.01
     9   1     0.04  -0.00  -0.07     0.00  -0.10   0.05     0.02   0.05   0.14
    10   1     0.05   0.03  -0.22     0.01  -0.07  -0.07     0.04   0.09  -0.06
    11   6     0.01  -0.02   0.06    -0.00   0.00   0.04     0.00  -0.05   0.07
    12   6     0.05  -0.02   0.03     0.12   0.09   0.18    -0.10  -0.14  -0.10
    13   6    -0.08   0.01   0.02    -0.05   0.03   0.02    -0.06  -0.03   0.05
    14   1     0.03  -0.02   0.05    -0.07   0.09  -0.01     0.09  -0.14   0.11
    15   1     0.11  -0.03   0.05     0.18   0.18   0.24    -0.14  -0.24  -0.15
    16   1     0.02  -0.02   0.04     0.13  -0.02   0.29    -0.14  -0.02  -0.20
    17   1     0.06  -0.00  -0.03     0.12   0.19   0.13    -0.10  -0.24  -0.08
    18   8    -0.08   0.01  -0.05    -0.07   0.07  -0.01    -0.06  -0.04  -0.02
    19   8    -0.16   0.04   0.07    -0.09   0.06   0.04    -0.13  -0.04   0.09
    20   1    -0.14   0.02   0.12    -0.08   0.01   0.07    -0.12  -0.02   0.14
    21   6     0.02   0.01  -0.07    -0.04  -0.02  -0.01     0.08   0.02  -0.00
    22   6     0.04   0.02  -0.13    -0.01  -0.01   0.05     0.05  -0.00   0.03
    23   6     0.05   0.03  -0.16     0.04  -0.03  -0.04     0.02   0.05  -0.08
    24   8     0.04   0.03  -0.12    -0.03   0.05   0.21     0.02  -0.11   0.20
    25   6     0.01  -0.03   0.26     0.11   0.15  -0.05    -0.03  -0.11  -0.09
    26   1    -0.00  -0.03   0.09    -0.06  -0.05  -0.16     0.13   0.09  -0.11
    27   1     0.02   0.01  -0.06    -0.07  -0.01   0.02     0.09  -0.00   0.04
    28   1     0.06   0.04  -0.22     0.08  -0.02  -0.01    -0.02   0.04  -0.08
    29   1    -0.01  -0.04   0.40     0.08   0.23   0.04    -0.03  -0.21   0.03
    30   1     0.17  -0.24   0.32     0.19   0.36  -0.15     0.01   0.18  -0.21
    31   1    -0.16   0.16   0.35     0.16  -0.06  -0.23    -0.11  -0.29  -0.31
                      7                      8                      9
                      A                      A                      A
 Frequencies --    185.7135               200.8183               221.2886
 Red. masses --      3.3060                 3.1800                 2.1956
 Frc consts  --      0.0672                 0.0756                 0.0633
 IR Inten    --      1.2762                 1.1281                 3.0200
 RamAct Fr= 1--      0.5321                 7.7244                 1.6394
  Dep-P Fr= 1--      0.2222                 0.3368                 0.7444
  Dep-U Fr= 1--      0.3636                 0.5038                 0.8535
 Alpha2 Fr= 1--      0.0068                 0.0708                 0.0002
 Beta2  Fr= 1--      0.0322                 0.6486                 0.2332
 AlphaG Fr= 1--     -0.0161                 0.0448                -0.0040
 Gamma2 Fr= 1--      1.6155                -1.1204                 0.2705
 Delta2 Fr= 1--      0.0628                -0.5732                 0.3492
 Raman1 Fr= 1--       2.129                 30.897                  6.558
 ROA1   Fr= 1--     157.094               -125.903                 37.144
 CID1   Fr= 1--      73.804                 -4.075                  5.664
 Raman2 Fr= 1--       0.387                  7.784                  2.798
 ROA2   Fr= 1--      38.269                -22.304                  3.699
 CID2   Fr= 1--      98.887                 -2.866                  1.322
 Raman3 Fr= 1--       0.774                 15.567                  5.597
 ROA3   Fr= 1--     157.094               -125.903                 37.144
 CID3   Fr= 1--     202.967                 -8.088                  6.637
 RC180  Fr= 1--      -0.273                  0.008                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.08     0.02  -0.02  -0.03    -0.02  -0.03   0.08
     2   6     0.00   0.02  -0.10     0.00  -0.04  -0.01    -0.03  -0.03   0.02
     3   6     0.01   0.02  -0.12     0.02   0.05  -0.06    -0.02  -0.00   0.13
     4   6    -0.00  -0.01   0.01    -0.04   0.08  -0.02    -0.02   0.03   0.05
     5   6    -0.03  -0.05   0.22    -0.06   0.07   0.01    -0.05   0.02   0.02
     6   6    -0.02  -0.03   0.11    -0.06   0.01   0.01    -0.05  -0.01   0.03
     7   6    -0.03  -0.01   0.10     0.05  -0.06   0.03    -0.01  -0.01  -0.02
     8   1     0.02   0.03  -0.21     0.08   0.08  -0.07    -0.00  -0.00   0.18
     9   1    -0.06  -0.09   0.44    -0.08   0.08   0.04    -0.07   0.04  -0.00
    10   1    -0.03  -0.04   0.23    -0.13  -0.02   0.03    -0.08  -0.01   0.00
    11   6     0.01   0.01  -0.02    -0.06   0.05   0.00    -0.01   0.06  -0.01
    12   6     0.04   0.02  -0.01    -0.20  -0.01  -0.03     0.05   0.05  -0.11
    13   6     0.02   0.00  -0.02    -0.04   0.01   0.01     0.02   0.02  -0.00
    14   1     0.00   0.02  -0.03    -0.03   0.01   0.02     0.01   0.04   0.00
    15   1     0.07   0.03   0.00    -0.38  -0.07  -0.14     0.07  -0.06  -0.13
    16   1     0.02   0.01   0.00    -0.10   0.07  -0.14     0.08   0.10  -0.17
    17   1     0.04   0.04  -0.05    -0.22  -0.09   0.16     0.05   0.09  -0.12
    18   8     0.03  -0.00  -0.00    -0.03  -0.02   0.01     0.05  -0.06   0.01
    19   8     0.05  -0.01  -0.03    -0.03  -0.01   0.01     0.06  -0.04  -0.02
    20   1     0.04   0.00  -0.05    -0.04   0.02   0.01     0.04   0.01  -0.03
    21   6    -0.04  -0.02   0.18     0.03  -0.09   0.05    -0.00  -0.01  -0.11
    22   6    -0.01   0.02  -0.05     0.04  -0.08  -0.00    -0.02  -0.02  -0.05
    23   6     0.01   0.04  -0.21     0.02  -0.08  -0.01    -0.02  -0.02  -0.06
    24   8    -0.01   0.01  -0.04     0.05   0.02  -0.04    -0.03  -0.00   0.07
    25   6    -0.04  -0.01   0.03     0.25   0.11   0.06     0.05   0.05   0.00
    26   1    -0.05  -0.04   0.23     0.07  -0.05   0.06    -0.00  -0.01  -0.04
    27   1    -0.06  -0.06   0.38     0.04  -0.11   0.10     0.02  -0.00  -0.19
    28   1     0.03   0.07  -0.32     0.02  -0.08  -0.02    -0.01  -0.02  -0.09
    29   1    -0.06  -0.07   0.25     0.22   0.31   0.02    -0.02   0.04   0.47
    30   1     0.15   0.03  -0.02     0.29  -0.01   0.10     0.45   0.30  -0.16
    31   1    -0.22  -0.02  -0.07     0.39   0.12   0.14    -0.21  -0.15  -0.32
                     10                     11                     12
                      A                      A                      A
 Frequencies --    243.4690               259.8337               283.3964
 Red. masses --      1.8273                 1.1420                 2.3750
 Frc consts  --      0.0638                 0.0454                 0.1124
 IR Inten    --      1.8810                 1.2080                 2.1068
 RamAct Fr= 1--      1.0677                 0.3612                 1.2301
  Dep-P Fr= 1--      0.5400                 0.6754                 0.6757
  Dep-U Fr= 1--      0.7013                 0.8063                 0.8065
 Alpha2 Fr= 1--      0.0043                 0.0005                 0.0016
 Beta2  Fr= 1--      0.1248                 0.0485                 0.1653
 AlphaG Fr= 1--     -0.0310                -0.0058                 0.0022
 Gamma2 Fr= 1--      0.8771                -0.2567                 1.2994
 Delta2 Fr= 1--     -0.1865                 0.0426                 0.3807
 Raman1 Fr= 1--       4.271                  1.445                  4.921
 ROA1   Fr= 1--      78.231                -23.283                136.929
 CID1   Fr= 1--      18.318                -16.117                 27.828
 Raman2 Fr= 1--       1.498                  0.582                  1.984
 ROA2   Fr= 1--      22.541                 -6.503                 28.141
 CID2   Fr= 1--      15.052                -11.166                 14.183
 Raman3 Fr= 1--       2.995                  1.165                  3.968
 ROA3   Fr= 1--      78.231                -23.283                136.929
 CID3   Fr= 1--      26.120                -19.989                 34.505
 RC180  Fr= 1--       0.403                  0.613                  0.613
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.04     0.01  -0.01  -0.00    -0.01  -0.02   0.07
     2   6    -0.01  -0.00  -0.05     0.01  -0.01   0.02     0.01   0.00  -0.04
     3   6     0.01   0.01   0.00     0.01  -0.01  -0.03    -0.01  -0.03   0.13
     4   6    -0.01   0.01   0.04     0.01  -0.01  -0.03    -0.00  -0.01   0.03
     5   6    -0.03   0.01   0.02     0.02  -0.01  -0.02    -0.00  -0.02   0.07
     6   6    -0.03   0.00  -0.04     0.01  -0.01   0.01     0.00  -0.01   0.04
     7   6    -0.01  -0.00  -0.02    -0.01  -0.00   0.01    -0.00  -0.00   0.01
     8   1     0.02   0.02   0.01     0.02  -0.01  -0.04    -0.02  -0.04   0.17
     9   1    -0.05   0.02   0.05     0.02  -0.01  -0.03    -0.00  -0.03   0.10
    10   1    -0.04   0.00  -0.06     0.02  -0.01   0.02     0.00  -0.02   0.05
    11   6     0.01   0.05   0.04     0.01   0.01   0.01     0.00  -0.01  -0.05
    12   6     0.13   0.05  -0.12     0.01   0.01   0.02    -0.08  -0.01   0.06
    13   6     0.00   0.02   0.04    -0.00   0.00   0.01     0.02  -0.00  -0.06
    14   1    -0.01   0.03   0.07    -0.03   0.02   0.02     0.02   0.01  -0.08
    15   1     0.10  -0.18  -0.20    -0.40  -0.21  -0.26    -0.37  -0.01  -0.08
    16   1     0.30   0.15  -0.27     0.48   0.10  -0.22     0.14  -0.01  -0.01
    17   1     0.12   0.17  -0.04    -0.06   0.14   0.54    -0.12  -0.01   0.39
    18   8     0.03  -0.07   0.01    -0.00   0.00  -0.02     0.01   0.04  -0.03
    19   8    -0.01  -0.06   0.06    -0.03  -0.00   0.02     0.06   0.05  -0.10
    20   1    -0.02   0.01   0.09    -0.03   0.00   0.05     0.06   0.00  -0.15
    21   6    -0.02  -0.01   0.02    -0.01   0.01   0.01     0.01   0.02  -0.08
    22   6    -0.03  -0.01   0.01     0.00   0.02   0.01     0.01   0.02  -0.05
    23   6    -0.02  -0.01  -0.02     0.01   0.01   0.03     0.02   0.03  -0.13
    24   8    -0.03   0.01   0.02     0.00   0.01  -0.03    -0.01  -0.02   0.12
    25   6    -0.00   0.02   0.01    -0.04  -0.01  -0.01    -0.01  -0.01   0.01
    26   1    -0.02  -0.01  -0.01    -0.02  -0.01   0.00    -0.01  -0.01   0.02
    27   1    -0.02  -0.02   0.05    -0.01   0.02   0.01     0.01   0.03  -0.11
    28   1    -0.02  -0.02   0.01     0.02   0.01   0.02     0.03   0.03  -0.13
    29   1     0.05   0.13  -0.43    -0.05  -0.08   0.17     0.04   0.05  -0.41
    30   1    -0.35  -0.18   0.15     0.09   0.06  -0.06    -0.36  -0.11   0.10
    31   1     0.32   0.14   0.29    -0.19  -0.04  -0.11     0.28   0.05   0.21
                     13                     14                     15
                      A                      A                      A
 Frequencies --    327.1611               356.2157               390.3588
 Red. masses --      4.9297                 4.3577                 5.2102
 Frc consts  --      0.3109                 0.3258                 0.4678
 IR Inten    --      7.2956                 6.8560                 3.0661
 RamAct Fr= 1--     11.2696                 2.0522                 2.3304
  Dep-P Fr= 1--      0.2664                 0.0821                 0.1577
  Dep-U Fr= 1--      0.4207                 0.1517                 0.2725
 Alpha2 Fr= 1--      0.1275                 0.0375                 0.0353
 Beta2  Fr= 1--      0.7902                 0.0519                 0.1058
 AlphaG Fr= 1--     -0.0618                 0.0806                 0.1020
 Gamma2 Fr= 1--     -2.6694                 0.7789                 0.6763
 Delta2 Fr= 1--     -0.2234                 0.1176                 0.3527
 Raman1 Fr= 1--      45.079                  8.209                  9.321
 ROA1   Fr= 1--    -263.412                 78.537                 76.215
 CID1   Fr= 1--      -5.843                  9.567                  8.176
 Raman2 Fr= 1--       9.483                  0.623                  1.270
 ROA2   Fr= 1--     -62.278                 17.753                 13.410
 CID2   Fr= 1--      -6.568                 28.503                 10.560
 Raman3 Fr= 1--      18.965                  1.246                  2.540
 ROA3   Fr= 1--    -263.412                 78.537                 76.215
 CID3   Fr= 1--     -13.889                 63.049                 30.008
 RC180  Fr= 1--      -0.159                 -0.697                 -0.455
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.08   0.01     0.08  -0.15  -0.00     0.06  -0.02  -0.10
     2   6     0.00   0.10   0.02     0.12  -0.12  -0.00     0.03  -0.04  -0.10
     3   6    -0.08  -0.01  -0.02     0.07  -0.08  -0.00     0.05   0.03   0.13
     4   6    -0.09  -0.06  -0.01    -0.03   0.01  -0.02     0.01   0.03   0.26
     5   6     0.01  -0.02  -0.00     0.00  -0.00  -0.01    -0.03   0.03   0.17
     6   6     0.03   0.08   0.01     0.02  -0.07   0.00    -0.00   0.01  -0.21
     7   6     0.04   0.05   0.01     0.00  -0.09  -0.01     0.03  -0.00  -0.13
     8   1    -0.12  -0.03  -0.03     0.16  -0.04   0.02     0.11   0.05   0.13
     9   1     0.09  -0.08   0.00     0.01  -0.01  -0.01    -0.08   0.07   0.22
    10   1     0.08   0.10   0.01    -0.08  -0.11  -0.00    -0.04   0.02  -0.40
    11   6    -0.15  -0.07  -0.07    -0.09   0.14  -0.01     0.02  -0.02   0.02
    12   6     0.14   0.05  -0.01    -0.14   0.14  -0.10    -0.01  -0.04   0.03
    13   6    -0.17  -0.06  -0.03    -0.09   0.05   0.02    -0.03  -0.02  -0.07
    14   1    -0.15   0.01  -0.14    -0.10   0.14  -0.01     0.19  -0.01  -0.06
    15   1     0.16  -0.07  -0.05    -0.04   0.14  -0.05    -0.11  -0.05  -0.02
    16   1     0.43  -0.03  -0.03    -0.30   0.19  -0.10     0.05  -0.03  -0.00
    17   1     0.13   0.38   0.08    -0.12   0.04  -0.25    -0.02  -0.06   0.14
    18   8    -0.17  -0.08   0.23    -0.05  -0.07   0.11    -0.04  -0.00   0.01
    19   8     0.02   0.01  -0.17    -0.02  -0.04  -0.02     0.09   0.05  -0.17
    20   1    -0.01  -0.00  -0.35    -0.05   0.05  -0.05     0.08  -0.00  -0.31
    21   6     0.06   0.01   0.01     0.02   0.07   0.00    -0.02  -0.04   0.11
    22   6     0.08   0.00   0.01     0.09   0.10   0.02    -0.05  -0.04   0.15
    23   6     0.01   0.06   0.02     0.16   0.03   0.01    -0.01  -0.08   0.15
    24   8     0.10  -0.06  -0.00     0.10   0.10   0.04    -0.03   0.07  -0.12
    25   6     0.13  -0.07   0.00    -0.15  -0.02  -0.02    -0.08   0.05  -0.01
    26   1     0.11   0.07   0.03    -0.10  -0.13  -0.02     0.01   0.00  -0.24
    27   1     0.04   0.02   0.01    -0.06   0.14  -0.00     0.00  -0.06   0.12
    28   1    -0.04   0.04   0.01     0.24   0.06   0.02     0.01  -0.07   0.17
    29   1     0.12  -0.04   0.02    -0.10  -0.27  -0.08    -0.09  -0.01   0.14
    30   1     0.15  -0.07   0.00    -0.31   0.04  -0.02     0.03   0.05  -0.03
    31   1     0.14  -0.08   0.00    -0.28   0.04  -0.02    -0.22   0.08  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    413.0827               432.8226               486.7677
 Red. masses --      3.2995                 4.8306                 2.5623
 Frc consts  --      0.3317                 0.5332                 0.3577
 IR Inten    --      0.1190                 2.2460                14.5409
 RamAct Fr= 1--      3.1396                 2.7045                 0.1266
  Dep-P Fr= 1--      0.7483                 0.1384                 0.4120
  Dep-U Fr= 1--      0.8560                 0.2431                 0.5836
 Alpha2 Fr= 1--      0.0001                 0.0431                 0.0009
 Beta2  Fr= 1--      0.4479                 0.1096                 0.0123
 AlphaG Fr= 1--      0.0043                 0.0972                 0.0069
 Gamma2 Fr= 1--     -1.0497                 0.1279                -0.0894
 Delta2 Fr= 1--      0.1111                -0.3074                -0.0391
 Raman1 Fr= 1--      12.558                 10.818                  0.506
 ROA1   Fr= 1--     -97.210                  2.439                 -9.837
 CID1   Fr= 1--      -7.741                  0.225                -19.429
 Raman2 Fr= 1--       5.375                  1.315                  0.148
 ROA2   Fr= 1--     -26.081                  5.528                 -1.833
 CID2   Fr= 1--      -4.852                  4.204                -12.409
 Raman3 Fr= 1--      10.751                  2.630                  0.295
 ROA3   Fr= 1--     -97.210                  2.439                 -9.837
 CID3   Fr= 1--      -9.042                  0.927                -33.293
 RC180  Fr= 1--       0.712                 -0.514                  0.167
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.08     0.09  -0.03   0.02    -0.02  -0.03   0.21
     2   6     0.00   0.00  -0.04     0.02  -0.08   0.05    -0.02  -0.03   0.19
     3   6     0.02   0.03  -0.16     0.12   0.13  -0.05     0.02   0.02  -0.11
     4   6     0.00   0.00   0.03     0.07   0.16  -0.05     0.00  -0.01   0.03
     5   6    -0.02  -0.02   0.14     0.02   0.17  -0.09     0.01  -0.01   0.05
     6   6     0.02   0.03  -0.18    -0.04  -0.01   0.10     0.02   0.02  -0.09
     7   6    -0.03  -0.04   0.23     0.06  -0.03   0.06     0.02   0.02  -0.10
     8   1     0.06   0.07  -0.39     0.24   0.17  -0.02     0.05   0.07  -0.44
     9   1    -0.04  -0.04   0.29    -0.06   0.25  -0.16     0.02  -0.00  -0.04
    10   1     0.04   0.06  -0.35    -0.16  -0.07   0.16     0.07   0.08  -0.40
    11   6     0.00  -0.00   0.00     0.03  -0.11  -0.02     0.00   0.01  -0.00
    12   6     0.00  -0.01   0.00     0.12  -0.12   0.04    -0.00   0.01  -0.00
    13   6    -0.00   0.00  -0.00    -0.06  -0.10  -0.01    -0.00   0.00   0.00
    14   1     0.01  -0.00   0.00     0.15  -0.12  -0.07    -0.00   0.01  -0.00
    15   1    -0.00  -0.00   0.00     0.17  -0.12   0.07    -0.02   0.02  -0.00
    16   1    -0.00  -0.00   0.00     0.23  -0.20   0.09    -0.02   0.01   0.00
    17   1     0.00  -0.01   0.00     0.12   0.04   0.04    -0.00  -0.01   0.00
    18   8    -0.00   0.00  -0.00    -0.10  -0.00   0.11    -0.00  -0.00   0.01
    19   8     0.00  -0.00  -0.00    -0.04   0.03  -0.05    -0.00  -0.01  -0.00
    20   1    -0.01   0.04  -0.01    -0.02  -0.09  -0.11    -0.03   0.09   0.01
    21   6     0.02   0.03  -0.19     0.03  -0.06  -0.04    -0.01  -0.02   0.05
    22   6     0.01   0.01  -0.08    -0.05  -0.05  -0.09    -0.02  -0.02   0.07
    23   6    -0.01  -0.03   0.11     0.03  -0.12  -0.09     0.01   0.01  -0.13
    24   8    -0.01  -0.01   0.05    -0.10   0.09   0.05    -0.01   0.00  -0.01
    25   6    -0.01   0.00   0.00    -0.15   0.11   0.01    -0.01   0.01   0.00
    26   1    -0.05  -0.08   0.44     0.05  -0.05   0.12     0.06   0.09  -0.44
    27   1     0.04   0.05  -0.31     0.11  -0.14  -0.01     0.03   0.00  -0.12
    28   1    -0.04  -0.06   0.33     0.03  -0.11  -0.09     0.05   0.08  -0.49
    29   1    -0.01   0.00   0.01    -0.13   0.04  -0.06    -0.00   0.02  -0.04
    30   1    -0.01   0.05  -0.02    -0.24   0.14   0.01    -0.02  -0.03   0.02
    31   1     0.00  -0.03  -0.03    -0.15   0.12   0.01     0.02   0.03   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    492.7943               527.4974               536.9044
 Red. masses --      4.5387                 4.5959                 5.9579
 Frc consts  --      0.6494                 0.7535                 1.0119
 IR Inten    --      6.9562                 9.0823                 0.1917
 RamAct Fr= 1--      1.8792                 8.2820                14.1027
  Dep-P Fr= 1--      0.5281                 0.1617                 0.3950
  Dep-U Fr= 1--      0.6911                 0.2783                 0.5664
 Alpha2 Fr= 1--      0.0081                 0.1243                 0.1063
 Beta2  Fr= 1--      0.2165                 0.3842                 1.3312
 AlphaG Fr= 1--     -0.0195                -0.0590                 0.1199
 Gamma2 Fr= 1--     -0.8441                -0.4170                -0.1121
 Delta2 Fr= 1--     -0.0259                 0.6614                -0.2521
 Raman1 Fr= 1--       7.517                 33.128                 56.411
 ROA1   Fr= 1--     -81.859                -18.870                -18.835
 CID1   Fr= 1--     -10.890                 -0.570                 -0.334
 Raman2 Fr= 1--       2.598                  4.610                 15.974
 ROA2   Fr= 1--     -20.051                -15.301                 -0.674
 CID2   Fr= 1--      -7.719                 -3.319                 -0.042
 Raman3 Fr= 1--       5.195                  9.220                 31.948
 ROA3   Fr= 1--     -81.859                -18.870                -18.835
 CID3   Fr= 1--     -15.756                 -2.047                 -0.590
 RC180  Fr= 1--       0.382                 -0.443                  0.133
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.11  -0.00     0.11  -0.05  -0.01     0.12   0.09   0.04
     2   6    -0.04  -0.09   0.01    -0.03  -0.11   0.02    -0.13  -0.01  -0.02
     3   6    -0.05   0.07  -0.02     0.15   0.00  -0.02     0.06  -0.12  -0.01
     4   6    -0.08   0.11   0.01     0.10   0.03   0.05    -0.03  -0.11  -0.03
     5   6    -0.16   0.12   0.00    -0.00  -0.01  -0.05    -0.25  -0.19  -0.06
     6   6    -0.17  -0.03  -0.04    -0.03  -0.14  -0.00    -0.23  -0.06  -0.04
     7   6    -0.07  -0.11  -0.04    -0.02   0.07   0.02     0.28   0.10   0.05
     8   1     0.07   0.12  -0.03     0.19   0.02  -0.04    -0.07  -0.16  -0.03
     9   1    -0.25   0.19  -0.01    -0.09   0.08  -0.13    -0.29  -0.17  -0.05
    10   1    -0.33  -0.09  -0.10    -0.05  -0.14  -0.03    -0.15  -0.03  -0.03
    11   6    -0.02  -0.10   0.01     0.07   0.04   0.03    -0.02  -0.02   0.01
    12   6     0.10  -0.13   0.05    -0.01   0.00  -0.00     0.00  -0.03   0.01
    13   6     0.05  -0.04   0.00    -0.05  -0.02  -0.01     0.01   0.00   0.01
    14   1     0.02  -0.15   0.04     0.16   0.05  -0.03    -0.07  -0.01   0.03
    15   1     0.18  -0.16   0.08    -0.06   0.01  -0.03     0.02  -0.04   0.01
    16   1     0.21  -0.20   0.09    -0.08   0.05  -0.03     0.00  -0.03   0.00
    17   1     0.10   0.04   0.03    -0.01  -0.11   0.01     0.00  -0.02  -0.01
    18   8     0.03   0.04  -0.08    -0.05  -0.02   0.07     0.01   0.00  -0.03
    19   8     0.03   0.03   0.01    -0.02   0.00  -0.05     0.01   0.00   0.00
    20   1     0.06  -0.06   0.01    -0.02  -0.04  -0.09     0.01   0.02  -0.01
    21   6    -0.02   0.09   0.02     0.00   0.24   0.04     0.28   0.08   0.05
    22   6     0.12   0.12   0.04    -0.12   0.15  -0.03     0.02   0.01   0.01
    23   6     0.04   0.13   0.01    -0.05   0.11   0.00    -0.09   0.04  -0.00
    24   8     0.18   0.01   0.03    -0.16  -0.18  -0.04     0.02   0.09   0.02
    25   6     0.07  -0.09  -0.01     0.12  -0.07   0.00    -0.07   0.09   0.01
    26   1    -0.15  -0.14  -0.09    -0.23  -0.02   0.03     0.33   0.13   0.05
    27   1    -0.20   0.24   0.00    -0.02   0.25   0.09     0.41  -0.03   0.04
    28   1     0.13   0.16  -0.02     0.16   0.19   0.06    -0.08   0.05  -0.01
    29   1     0.09  -0.21  -0.03     0.06   0.28   0.05    -0.05  -0.02  -0.01
    30   1    -0.00  -0.06  -0.01     0.32  -0.16   0.01    -0.13   0.11   0.01
    31   1     0.01  -0.06  -0.01     0.33  -0.17   0.02    -0.13   0.11   0.00
                     22                     23                     24
                      A                      A                      A
 Frequencies --    572.7080               598.4326               625.4411
 Red. masses --      3.2783                 1.1686                 3.8487
 Frc consts  --      0.6335                 0.2466                 0.8870
 IR Inten    --      2.9584                45.7050                 4.1531
 RamAct Fr= 1--      2.1300                 1.0825                 1.2416
  Dep-P Fr= 1--      0.4580                 0.6922                 0.7243
  Dep-U Fr= 1--      0.6282                 0.8181                 0.8401
 Alpha2 Fr= 1--      0.0126                 0.0011                 0.0005
 Beta2  Fr= 1--      0.2230                 0.1476                 0.1738
 AlphaG Fr= 1--     -0.0650                -0.0805                -0.0015
 Gamma2 Fr= 1--      0.5755                -1.1754                 1.0988
 Delta2 Fr= 1--     -0.4519                 0.5035                 0.6748
 Raman1 Fr= 1--       8.520                  4.330                  4.967
 ROA1   Fr= 1--      40.787                -96.726                127.079
 CID1   Fr= 1--       4.787                -22.338                 25.587
 Raman2 Fr= 1--       2.676                  1.771                  2.086
 ROA2   Fr= 1--      17.427                -32.238                 20.973
 CID2   Fr= 1--       6.512                -18.200                 10.053
 Raman3 Fr= 1--       5.353                  3.543                  4.172
 ROA3   Fr= 1--      40.787                -96.726                127.079
 CID3   Fr= 1--       7.620                -27.304                 30.457
 RC180  Fr= 1--       0.256                  0.636                  0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.09     0.01  -0.01   0.01    -0.06   0.02  -0.05
     2   6    -0.02  -0.00   0.15     0.01   0.00  -0.04    -0.11  -0.01   0.06
     3   6    -0.01  -0.00  -0.07     0.00   0.00   0.02    -0.05   0.08   0.04
     4   6    -0.03  -0.06   0.19     0.01   0.01  -0.04     0.08  -0.00   0.08
     5   6     0.01  -0.01  -0.10     0.00   0.01   0.00     0.01  -0.05   0.02
     6   6     0.00   0.00   0.06    -0.00  -0.00   0.00    -0.01  -0.09  -0.04
     7   6    -0.01  -0.01  -0.00    -0.00  -0.00   0.01     0.01  -0.05  -0.07
     8   1    -0.03   0.01  -0.23     0.02   0.01   0.02    -0.09   0.07  -0.09
     9   1     0.07   0.04  -0.44    -0.01  -0.00   0.08    -0.06   0.05  -0.16
    10   1     0.06   0.06  -0.16    -0.02  -0.02   0.09     0.07  -0.03  -0.25
    11   6    -0.01   0.03   0.16     0.00  -0.02  -0.01     0.13   0.02  -0.16
    12   6    -0.00  -0.02   0.02     0.01  -0.03   0.01    -0.00   0.04  -0.03
    13   6    -0.05   0.06   0.03    -0.01   0.02   0.00     0.07  -0.04  -0.11
    14   1     0.02   0.02   0.16    -0.01  -0.04   0.02     0.23   0.06  -0.25
    15   1     0.01  -0.14  -0.00     0.01   0.01   0.03    -0.18   0.24  -0.05
    16   1    -0.07   0.10  -0.07     0.02  -0.05   0.04    -0.04  -0.02   0.04
    17   1     0.00  -0.09  -0.02     0.01  -0.01   0.02    -0.02  -0.11   0.12
    18   8    -0.03  -0.02  -0.10    -0.01   0.02   0.01     0.06   0.04   0.18
    19   8     0.11  -0.01  -0.07     0.01  -0.07  -0.01    -0.14  -0.04   0.00
    20   1    -0.03   0.40  -0.24    -0.24   0.95   0.04    -0.14   0.20   0.32
    21   6    -0.02  -0.04   0.02     0.00   0.01  -0.01     0.00  -0.05   0.04
    22   6     0.04   0.02  -0.18    -0.01  -0.00   0.04     0.06   0.02  -0.14
    23   6     0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.08   0.05   0.02
    24   8     0.02   0.01   0.06    -0.01  -0.00  -0.01     0.07   0.04   0.05
    25   6    -0.01   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    26   1    -0.01  -0.04   0.25    -0.00   0.00  -0.04     0.03  -0.07   0.12
    27   1    -0.06  -0.09   0.35     0.01   0.02  -0.08    -0.08  -0.07   0.36
    28   1    -0.05  -0.05   0.13     0.01   0.01  -0.02    -0.16  -0.01   0.20
    29   1     0.01  -0.04  -0.03    -0.00   0.01   0.01     0.02  -0.10  -0.02
    30   1    -0.06   0.04  -0.00     0.01  -0.01   0.00    -0.07   0.05  -0.00
    31   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.04   0.01  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    648.9237               687.0249               714.5751
 Red. masses --      3.9163                 4.9638                 3.6986
 Frc consts  --      0.9717                 1.3804                 1.1127
 IR Inten    --      3.6854                 3.8769                 8.1926
 RamAct Fr= 1--      0.2779                 0.7112                 3.2409
  Dep-P Fr= 1--      0.5563                 0.2808                 0.1767
  Dep-U Fr= 1--      0.7149                 0.4385                 0.3004
 Alpha2 Fr= 1--      0.0010                 0.0077                 0.0468
 Beta2  Fr= 1--      0.0331                 0.0520                 0.1623
 AlphaG Fr= 1--     -0.0158                 0.0096                 0.0105
 Gamma2 Fr= 1--      0.7086                -0.5111                -1.6825
 Delta2 Fr= 1--      0.0902                -0.4010                -0.3776
 Raman1 Fr= 1--       1.112                  2.845                 12.964
 ROA1   Fr= 1--      70.915                -61.895               -173.607
 CID1   Fr= 1--      63.789                -21.757                -13.392
 Raman2 Fr= 1--       0.397                  0.624                  1.947
 ROA2   Fr= 1--      16.286                 -9.058                -37.360
 CID2   Fr= 1--      40.983                -14.522                -19.188
 Raman3 Fr= 1--       0.795                  1.247                  3.894
 ROA3   Fr= 1--      70.915                -61.895               -173.607
 CID3   Fr= 1--      89.229                -49.616                -44.583
 RC180  Fr= 1--       0.430                 -0.123                 -0.399
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.02  -0.00     0.07   0.05  -0.05    -0.00  -0.03  -0.13
     2   6    -0.11   0.02  -0.09     0.06   0.04  -0.02     0.02  -0.01   0.00
     3   6    -0.04   0.13  -0.05     0.10  -0.12  -0.06    -0.06   0.00  -0.03
     4   6     0.11   0.01   0.04     0.00  -0.07   0.15    -0.11  -0.03   0.21
     5   6     0.07  -0.06  -0.08    -0.15  -0.02  -0.09     0.06   0.06  -0.02
     6   6     0.03  -0.17   0.04    -0.14   0.14   0.09     0.04   0.00   0.09
     7   6    -0.00  -0.11   0.08    -0.15   0.16   0.10     0.08  -0.13   0.08
     8   1    -0.13   0.09   0.00     0.07  -0.12  -0.16     0.01   0.05  -0.21
     9   1    -0.05   0.02  -0.02    -0.08  -0.00  -0.32     0.17   0.10  -0.48
    10   1     0.09  -0.17   0.26    -0.14   0.15   0.05     0.03   0.03  -0.16
    11   6     0.12   0.08   0.13     0.12   0.04  -0.01    -0.11  -0.07  -0.11
    12   6     0.01   0.01   0.01     0.02  -0.02   0.00    -0.03   0.03  -0.03
    13   6    -0.06   0.01   0.02     0.05  -0.03  -0.08     0.06   0.03  -0.04
    14   1     0.15   0.12   0.07     0.23   0.08  -0.11    -0.08  -0.13  -0.07
    15   1    -0.07  -0.08  -0.05    -0.10   0.03  -0.04     0.01   0.14   0.03
    16   1    -0.14   0.19  -0.12    -0.08   0.04  -0.02     0.12  -0.16   0.11
    17   1     0.01  -0.22   0.01     0.01  -0.22   0.06    -0.04   0.24   0.02
    18   8    -0.06  -0.03   0.01     0.04   0.02   0.09     0.08   0.02   0.00
    19   8     0.02   0.02  -0.06    -0.08  -0.01  -0.05    -0.02  -0.02   0.03
    20   1     0.03  -0.12  -0.19    -0.05   0.02   0.14     0.01   0.00   0.20
    21   6     0.03  -0.05  -0.08    -0.15   0.00  -0.09     0.12   0.04  -0.06
    22   6     0.01  -0.04   0.19    -0.01  -0.06   0.14    -0.03   0.00   0.15
    23   6    -0.11   0.09  -0.04     0.09  -0.11  -0.05     0.00   0.06  -0.04
    24   8     0.08   0.05  -0.01     0.09   0.03  -0.00    -0.09  -0.04  -0.04
    25   6     0.00   0.01  -0.00     0.04  -0.06  -0.01    -0.03   0.04   0.00
    26   1     0.08  -0.05  -0.08    -0.16   0.16   0.06     0.07  -0.15   0.15
    27   1     0.02   0.07  -0.47    -0.08   0.02  -0.33     0.12   0.08  -0.23
    28   1    -0.15   0.10  -0.30     0.07  -0.09  -0.25     0.08   0.12  -0.22
    29   1     0.02  -0.10  -0.01     0.05  -0.16  -0.02    -0.05   0.16   0.02
    30   1    -0.05   0.01   0.00    -0.02  -0.05  -0.01     0.04  -0.00   0.01
    31   1    -0.07   0.06   0.00    -0.03  -0.02  -0.00     0.03   0.02   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    750.8870               771.0566               785.8986
 Red. masses --      4.8980                 4.6412                 2.4463
 Frc consts  --      1.6271                 1.6257                 0.8902
 IR Inten    --      3.9005                 6.6843                 1.4835
 RamAct Fr= 1--      1.3578                69.4871                 3.7066
  Dep-P Fr= 1--      0.7431                 0.0710                 0.0689
  Dep-U Fr= 1--      0.8526                 0.1327                 0.1289
 Alpha2 Fr= 1--      0.0002                 1.3051                 0.0700
 Beta2  Fr= 1--      0.1930                 1.5365                 0.0797
 AlphaG Fr= 1--     -0.0168                 0.1328                -0.1369
 Gamma2 Fr= 1--      2.9439                 1.5487                -0.3101
 Delta2 Fr= 1--     -0.4479                 0.3585                 0.1527
 Raman1 Fr= 1--       5.431                277.948                 14.826
 ROA1   Fr= 1--     268.281                160.149                -24.882
 CID1   Fr= 1--      49.396                  0.576                 -1.678
 Raman2 Fr= 1--       2.315                 18.438                  0.956
 ROA2   Fr= 1--      74.236                 34.301                 -8.664
 CID2   Fr= 1--      32.061                  1.860                 -9.063
 Raman3 Fr= 1--       4.631                 36.876                  1.912
 ROA3   Fr= 1--     268.281                160.149                -24.882
 CID3   Fr= 1--      57.933                  4.343                -13.015
 RC180  Fr= 1--       0.705                 -0.735                 -0.742
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.02     0.02   0.12  -0.06     0.03   0.02  -0.19
     2   6    -0.00  -0.01  -0.01    -0.01  -0.12   0.03    -0.03  -0.02   0.21
     3   6     0.01   0.02   0.00    -0.04   0.14   0.05     0.01  -0.03   0.04
     4   6     0.01   0.00  -0.01     0.02   0.03   0.02     0.02   0.02  -0.12
     5   6    -0.00   0.00  -0.01     0.04  -0.04   0.04    -0.02  -0.01   0.08
     6   6    -0.00  -0.02  -0.01     0.04  -0.27  -0.03     0.00   0.05  -0.07
     7   6    -0.01   0.03  -0.00    -0.06   0.28   0.06    -0.00  -0.04   0.02
     8   1     0.01   0.02   0.01    -0.07   0.13   0.02    -0.03  -0.09   0.40
     9   1    -0.03   0.01   0.06    -0.09   0.12  -0.19    -0.01  -0.04   0.16
    10   1    -0.02  -0.03   0.05     0.01  -0.25  -0.28     0.03   0.08  -0.17
    11   6     0.01  -0.01  -0.05    -0.10  -0.07  -0.10     0.03   0.02   0.02
    12   6     0.05  -0.15   0.04    -0.04   0.05  -0.04     0.01  -0.02   0.01
    13   6    -0.12   0.50  -0.02    -0.02  -0.01   0.05    -0.01   0.02   0.00
    14   1    -0.07  -0.26   0.24    -0.10  -0.15  -0.03    -0.00   0.03   0.03
    15   1    -0.09   0.22   0.10     0.03   0.17   0.03    -0.00  -0.04   0.00
    16   1     0.08  -0.39   0.28     0.14  -0.15   0.11    -0.03   0.02  -0.02
    17   1     0.03  -0.16   0.23    -0.05   0.32  -0.01     0.01  -0.08   0.01
    18   8     0.09  -0.12   0.04    -0.03  -0.01  -0.06    -0.01  -0.01   0.01
    19   8    -0.05  -0.09  -0.07     0.07   0.01   0.09    -0.01  -0.00  -0.01
    20   1     0.04  -0.37   0.03     0.03   0.07  -0.03    -0.01   0.01  -0.03
    21   6    -0.01   0.00   0.01    -0.05   0.05  -0.04     0.01   0.01  -0.10
    22   6     0.00  -0.00  -0.02    -0.02  -0.04   0.04    -0.00  -0.01   0.06
    23   6     0.00  -0.01   0.00     0.05  -0.14  -0.03    -0.02   0.02   0.02
    24   8     0.01   0.01   0.00     0.09   0.04   0.01    -0.01  -0.00   0.00
    25   6     0.01  -0.01  -0.00     0.03  -0.05  -0.00    -0.00   0.00   0.00
    26   1    -0.00   0.03  -0.03    -0.04   0.27   0.22    -0.05  -0.11   0.37
    27   1    -0.00  -0.01   0.01     0.10  -0.08   0.02    -0.05  -0.02   0.17
    28   1    -0.00  -0.02   0.04     0.10  -0.10  -0.17     0.05   0.13  -0.65
    29   1     0.01  -0.02  -0.00     0.06  -0.17  -0.03     0.00   0.02  -0.03
    30   1    -0.01  -0.00  -0.00    -0.04  -0.02  -0.00    -0.00  -0.01   0.00
    31   1    -0.01  -0.00  -0.00    -0.04  -0.01  -0.01     0.01   0.01   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    815.4413               828.5571               837.5278
 Red. masses --      2.9917                 1.4625                 1.8341
 Frc consts  --      1.1721                 0.5915                 0.7580
 IR Inten    --      8.7532                11.8337                12.7552
 RamAct Fr= 1--      4.8348                 0.8483                 1.0147
  Dep-P Fr= 1--      0.6475                 0.5388                 0.6074
  Dep-U Fr= 1--      0.7861                 0.7003                 0.7558
 Alpha2 Fr= 1--      0.0089                 0.0035                 0.0027
 Beta2  Fr= 1--      0.6334                 0.0990                 0.1278
 AlphaG Fr= 1--     -0.0695                 0.0061                 0.0450
 Gamma2 Fr= 1--     -1.0533                 1.1545                 0.9959
 Delta2 Fr= 1--     -0.7580                -0.1135                 0.3944
 Raman1 Fr= 1--      19.339                  3.393                  4.059
 ROA1   Fr= 1--    -125.377                107.200                108.231
 CID1   Fr= 1--      -6.483                 31.593                 26.667
 Raman2 Fr= 1--       7.601                  1.188                  1.534
 ROA2   Fr= 1--     -19.216                 28.616                 20.747
 CID2   Fr= 1--      -2.528                 24.086                 13.528
 Raman3 Fr= 1--      15.202                  2.376                  3.067
 ROA3   Fr= 1--    -125.377                107.200                108.231
 CID3   Fr= 1--      -8.248                 45.116                 35.285
 RC180  Fr= 1--       0.572                  0.401                  0.512
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.03  -0.01    -0.00  -0.02   0.07    -0.03  -0.01   0.07
     2   6    -0.04   0.06  -0.03    -0.01   0.01  -0.02     0.02  -0.00  -0.05
     3   6     0.11  -0.05   0.03     0.02  -0.01   0.01    -0.04   0.01   0.02
     4   6     0.07   0.01  -0.04     0.00  -0.01   0.08    -0.01   0.01  -0.08
     5   6    -0.02  -0.02   0.06     0.01   0.01  -0.08    -0.01  -0.01   0.04
     6   6    -0.04   0.07   0.08     0.00   0.02  -0.04    -0.00  -0.03   0.06
     7   6    -0.02  -0.07  -0.02     0.00   0.00  -0.07     0.02   0.02  -0.08
     8   1     0.17  -0.01  -0.10     0.07   0.05  -0.32    -0.04   0.04  -0.19
     9   1     0.05   0.06  -0.40    -0.04  -0.06   0.31     0.03   0.05  -0.26
    10   1     0.10   0.19  -0.39    -0.05  -0.07   0.47     0.03   0.04  -0.35
    11   6     0.07  -0.01  -0.14     0.00  -0.02  -0.04     0.00   0.03   0.06
    12   6     0.01   0.01  -0.05    -0.01   0.02  -0.02     0.01  -0.03   0.03
    13   6    -0.10   0.01   0.10    -0.01  -0.00   0.01     0.02   0.00  -0.01
    14   1     0.13  -0.10  -0.08     0.05  -0.04  -0.04    -0.08   0.08   0.05
    15   1    -0.15   0.36  -0.02    -0.04   0.12  -0.01     0.05  -0.18   0.00
    16   1     0.02  -0.18   0.14     0.02  -0.06   0.05    -0.05   0.10  -0.08
    17   1    -0.01  -0.02   0.12    -0.01   0.04   0.03     0.03  -0.09  -0.04
    18   8    -0.11  -0.04  -0.05    -0.02  -0.01  -0.01     0.02   0.01   0.02
    19   8     0.11   0.02   0.12     0.03   0.01   0.03    -0.03  -0.00  -0.05
    20   1     0.05   0.02  -0.17     0.02  -0.01  -0.01    -0.02  -0.02   0.01
    21   6    -0.04  -0.04  -0.02     0.00   0.01  -0.07     0.02   0.03  -0.08
    22   6    -0.00  -0.01   0.05    -0.00  -0.01   0.02    -0.01  -0.02   0.12
    23   6    -0.08   0.07  -0.04    -0.02  -0.00   0.05     0.04  -0.01  -0.06
    24   8     0.02   0.02  -0.01     0.01   0.00  -0.00    -0.01  -0.00  -0.03
    25   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.01   0.01  -0.00
    26   1    -0.08  -0.11   0.06    -0.06  -0.08   0.38    -0.04  -0.07   0.50
    27   1    -0.10   0.01   0.01    -0.07  -0.08   0.44    -0.04  -0.08   0.49
    28   1    -0.20  -0.02   0.27     0.02   0.07  -0.35     0.02  -0.06   0.31
    29   1     0.02  -0.04   0.01     0.01  -0.01  -0.01    -0.01   0.02   0.02
    30   1    -0.01   0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.00  -0.00
    31   1    -0.01   0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    866.5811               883.6118               922.5125
 Red. masses --      3.1828                 1.8283                 1.5100
 Frc consts  --      1.4083                 0.8410                 0.7571
 IR Inten    --      1.1826                35.6865                12.4049
 RamAct Fr= 1--     31.1329                 1.4595                 0.9438
  Dep-P Fr= 1--      0.1257                 0.7016                 0.6855
  Dep-U Fr= 1--      0.2233                 0.8246                 0.8134
 Alpha2 Fr= 1--      0.5116                 0.0012                 0.0011
 Beta2  Fr= 1--      1.1588                 0.2006                 0.1279
 AlphaG Fr= 1--      0.1322                 0.0447                -0.0154
 Gamma2 Fr= 1--     -0.0754                -0.9218                -0.3716
 Delta2 Fr= 1--     -0.6059                -0.1926                 0.0042
 Raman1 Fr= 1--     124.531                  5.838                  3.775
 ROA1   Fr= 1--     -26.630                -94.659                -35.537
 CID1   Fr= 1--      -0.214                -16.214                 -9.414
 Raman2 Fr= 1--      13.906                  2.407                  1.535
 ROA2   Fr= 1--       3.037                -20.582                 -8.952
 CID2   Fr= 1--       0.218                 -8.551                 -5.831
 Raman3 Fr= 1--      27.812                  4.814                  3.071
 ROA3   Fr= 1--     -26.630                -94.659                -35.537
 CID3   Fr= 1--      -0.958                -19.662                -11.573
 RC180  Fr= 1--      -0.553                  0.649                  0.627
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.03   0.02     0.00   0.01  -0.05    -0.01  -0.01   0.08
     2   6    -0.10   0.04  -0.00    -0.01  -0.03   0.14     0.01   0.01  -0.02
     3   6     0.19  -0.06  -0.00    -0.01   0.00   0.00     0.01   0.03  -0.17
     4   6     0.02   0.03   0.01    -0.00  -0.01   0.03    -0.00  -0.01   0.06
     5   6     0.06   0.01   0.01     0.00   0.01  -0.06    -0.01  -0.01  -0.00
     6   6     0.04  -0.02   0.01     0.01   0.02  -0.07    -0.01   0.00   0.02
     7   6    -0.03   0.01  -0.01    -0.00  -0.00   0.02     0.00  -0.00  -0.01
     8   1     0.35  -0.01   0.10    -0.02  -0.01   0.04    -0.13  -0.15   0.88
     9   1     0.07   0.01   0.02    -0.06  -0.08   0.45    -0.01  -0.00  -0.01
    10   1     0.16   0.03  -0.00    -0.04  -0.05   0.26     0.00   0.02  -0.08
    11   6    -0.16  -0.05   0.07     0.01  -0.01  -0.01     0.01  -0.02  -0.01
    12   6    -0.08   0.01   0.01    -0.00   0.01  -0.01    -0.01   0.02  -0.02
    13   6     0.06   0.01  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
    14   1    -0.17  -0.11   0.14     0.04  -0.02  -0.02     0.07  -0.05  -0.01
    15   1     0.24  -0.23   0.09    -0.02   0.06  -0.01    -0.02   0.10   0.00
    16   1     0.17  -0.05  -0.01     0.00  -0.02   0.02     0.02  -0.04   0.03
    17   1    -0.06   0.44  -0.17    -0.01   0.01   0.02    -0.02   0.05   0.03
    18   8     0.07   0.03   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   8    -0.06  -0.01  -0.06     0.01   0.00   0.01     0.01  -0.00   0.01
    20   1    -0.03  -0.00   0.10     0.01  -0.00   0.00    -0.00   0.05   0.02
    21   6    -0.06  -0.04  -0.03     0.00   0.01  -0.02     0.01   0.01  -0.04
    22   6    -0.03  -0.03   0.01    -0.01  -0.01   0.09     0.00  -0.00   0.02
    23   6    -0.18   0.08  -0.03     0.03   0.03  -0.17     0.01  -0.00   0.00
    24   8     0.07   0.06   0.01    -0.00   0.00  -0.02    -0.00  -0.00  -0.01
    25   6     0.04  -0.03  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   1    -0.12  -0.03   0.03    -0.00  -0.01   0.04     0.02   0.01  -0.06
    27   1    -0.06  -0.06   0.05     0.00   0.00   0.00    -0.04  -0.05   0.32
    28   1    -0.37  -0.01   0.07    -0.08  -0.14   0.78     0.02  -0.00   0.02
    29   1     0.07  -0.17  -0.02    -0.01   0.00   0.03    -0.01   0.01   0.00
    30   1    -0.04   0.00  -0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
    31   1    -0.04   0.01  -0.01     0.00  -0.00  -0.01     0.00   0.00   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    949.3422               964.6596               971.2346
 Red. masses --      3.5903                 1.3107                 1.3380
 Frc consts  --      1.9064                 0.7186                 0.7436
 IR Inten    --     25.4355                 0.3082                 0.7341
 RamAct Fr= 1--      0.8620                 1.6196                 0.9606
  Dep-P Fr= 1--      0.7243                 0.7498                 0.4848
  Dep-U Fr= 1--      0.8401                 0.8570                 0.6530
 Alpha2 Fr= 1--      0.0004                 0.0000                 0.0051
 Beta2  Fr= 1--      0.1207                 0.2313                 0.1045
 AlphaG Fr= 1--      0.0079                -0.0017                 0.1070
 Gamma2 Fr= 1--      0.4604                 0.0935                 0.9883
 Delta2 Fr= 1--     -0.9212                 0.1675                 0.3031
 Raman1 Fr= 1--       3.448                  6.478                  3.842
 ROA1   Fr= 1--      14.723                 14.336                104.575
 CID1   Fr= 1--       4.270                  2.213                 27.216
 Raman2 Fr= 1--       1.448                  2.776                  1.255
 ROA2   Fr= 1--      18.421                  0.905                 21.294
 CID2   Fr= 1--      12.719                  0.326                 16.974
 Raman3 Fr= 1--       2.897                  5.552                  2.509
 ROA3   Fr= 1--      14.723                 14.336                104.575
 CID3   Fr= 1--       5.083                  2.582                 41.680
 RC180  Fr= 1--       0.680                  0.714                  0.306
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06  -0.01    -0.01  -0.01   0.02    -0.00  -0.00  -0.02
     2   6    -0.07  -0.06  -0.02    -0.00  -0.00   0.00    -0.00   0.00  -0.02
     3   6    -0.05  -0.16  -0.05     0.00   0.00  -0.04    -0.01  -0.00   0.02
     4   6    -0.12  -0.03  -0.00    -0.00  -0.00   0.01     0.00  -0.00   0.01
     5   6     0.13   0.22   0.06     0.01   0.01  -0.02     0.02   0.02  -0.11
     6   6     0.04  -0.01  -0.01    -0.00  -0.00   0.02    -0.01  -0.01   0.11
     7   6     0.02   0.06   0.02     0.02   0.02  -0.11    -0.00  -0.01   0.03
     8   1    -0.08  -0.19   0.06    -0.03  -0.03   0.17     0.00   0.01  -0.09
     9   1     0.22   0.17   0.00    -0.01  -0.02   0.15    -0.07  -0.12   0.67
    10   1    -0.18  -0.10   0.04     0.01   0.02  -0.12     0.08   0.13  -0.65
    11   6     0.04   0.05  -0.04     0.00  -0.01   0.00     0.00  -0.01   0.00
    12   6     0.08  -0.03   0.02    -0.00   0.01  -0.00    -0.00   0.01  -0.00
    13   6    -0.01  -0.01  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.03   0.19  -0.14     0.02  -0.01  -0.00     0.02  -0.01   0.00
    15   1    -0.15   0.01  -0.08    -0.01   0.02  -0.00    -0.01   0.02  -0.00
    16   1    -0.18   0.13  -0.05     0.00  -0.00   0.01    -0.00  -0.00   0.01
    17   1     0.08  -0.45   0.09    -0.00   0.00   0.01    -0.00   0.01   0.00
    18   8    -0.02  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   8     0.02   0.00   0.02     0.00  -0.00   0.00    -0.00   0.00   0.00
    20   1     0.02   0.01   0.02    -0.00   0.01   0.00     0.00  -0.01   0.00
    21   6     0.09   0.15   0.03    -0.01  -0.01   0.10     0.01   0.02  -0.01
    22   6    -0.08  -0.04  -0.01    -0.00   0.00  -0.01    -0.01  -0.00  -0.00
    23   6    -0.14  -0.09  -0.04    -0.00  -0.01  -0.00    -0.01  -0.02   0.01
    24   8     0.06   0.07   0.02     0.00   0.00   0.01     0.00   0.01   0.00
    25   6     0.06  -0.04  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    26   1    -0.14   0.00  -0.06    -0.09  -0.13   0.70    -0.00   0.01  -0.16
    27   1     0.21   0.04   0.09     0.08   0.11  -0.61    -0.01   0.00   0.10
    28   1    -0.28  -0.15  -0.05    -0.00  -0.01  -0.02    -0.01  -0.01  -0.07
    29   1     0.09  -0.22  -0.03     0.00  -0.01  -0.00     0.01  -0.02  -0.00
    30   1    -0.06   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   1    -0.06   0.01  -0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    981.2320              1013.8104              1061.6746
 Red. masses --      3.5064                 2.2773                 4.7054
 Frc consts  --      1.9891                 1.3791                 3.1248
 IR Inten    --      0.5744                11.5120                53.9358
 RamAct Fr= 1--     20.7886                 2.6776                 2.5416
  Dep-P Fr= 1--      0.1327                 0.4853                 0.3070
  Dep-U Fr= 1--      0.2343                 0.6535                 0.4698
 Alpha2 Fr= 1--      0.3357                 0.0141                 0.0255
 Beta2  Fr= 1--      0.8117                 0.2916                 0.1990
 AlphaG Fr= 1--     -0.1899                 0.0333                 0.0025
 Gamma2 Fr= 1--     -0.5387                 0.2461                 0.4048
 Delta2 Fr= 1--     -0.0594                -2.5805                 0.1491
 Raman1 Fr= 1--      83.154                 10.710                 10.166
 ROA1   Fr= 1--     -53.619                -58.948                 43.627
 CID1   Fr= 1--      -0.645                 -5.504                  4.291
 Raman2 Fr= 1--       9.740                  3.500                  2.388
 ROA2   Fr= 1--     -12.454                 26.552                  8.522
 CID2   Fr= 1--      -1.279                  7.587                  3.569
 Raman3 Fr= 1--      19.480                  6.999                  4.776
 ROA3   Fr= 1--     -53.619                -58.948                 43.627
 CID3   Fr= 1--      -2.752                 -8.422                  9.135
 RC180  Fr= 1--      -0.531                  0.307                 -0.060
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04  -0.01    -0.03   0.00  -0.00     0.02   0.01   0.00
     2   6    -0.03   0.02   0.00    -0.00  -0.02  -0.01     0.05  -0.03  -0.00
     3   6    -0.04   0.14   0.03    -0.03  -0.08  -0.00    -0.02   0.04   0.00
     4   6     0.07  -0.01  -0.01     0.03  -0.03  -0.05    -0.01  -0.01  -0.00
     5   6    -0.02  -0.13  -0.00     0.02   0.10   0.04    -0.01  -0.02  -0.01
     6   6    -0.01   0.13   0.01    -0.03   0.00  -0.01    -0.01   0.03   0.01
     7   6     0.01  -0.12  -0.02     0.00   0.03   0.01     0.08  -0.05   0.00
     8   1    -0.04   0.15  -0.02    -0.16  -0.13  -0.13    -0.05   0.03   0.01
     9   1     0.10  -0.18  -0.15    -0.02   0.16  -0.03     0.06  -0.08  -0.01
    10   1     0.21   0.21   0.16    -0.24  -0.08  -0.04    -0.04   0.02   0.00
    11   6     0.02  -0.06   0.05     0.10  -0.12   0.13    -0.00  -0.02   0.01
    12   6    -0.05   0.05  -0.03    -0.04   0.13  -0.10     0.02   0.02  -0.01
    13   6     0.01   0.01   0.01     0.02  -0.02   0.06     0.01  -0.00   0.01
    14   1     0.03  -0.17   0.15     0.14  -0.44   0.42    -0.06  -0.02   0.03
    15   1     0.04   0.08   0.02    -0.11   0.46  -0.02    -0.06   0.06  -0.03
    16   1     0.07  -0.03   0.03     0.03  -0.10   0.12    -0.06   0.03  -0.00
    17   1    -0.05   0.24  -0.02    -0.06   0.22   0.11     0.01  -0.08   0.03
    18   8     0.01   0.00   0.00     0.01   0.00   0.00     0.00   0.00  -0.00
    19   8    -0.02  -0.00  -0.03    -0.04  -0.01  -0.08    -0.01  -0.00  -0.01
    20   1    -0.02  -0.01  -0.04    -0.05  -0.02  -0.11    -0.01  -0.00  -0.02
    21   6     0.07   0.24   0.05     0.01  -0.02  -0.00    -0.02  -0.12  -0.02
    22   6    -0.07  -0.02  -0.01     0.01   0.00   0.00    -0.18   0.09  -0.01
    23   6    -0.01  -0.23  -0.04     0.00   0.02   0.01     0.02   0.06   0.01
    24   8     0.02   0.05   0.01     0.00  -0.01  -0.00    -0.13   0.29   0.04
    25   6     0.05  -0.05  -0.00    -0.01   0.01   0.00     0.14  -0.32  -0.04
    26   1    -0.35  -0.26  -0.09     0.08   0.06   0.01     0.32   0.04   0.04
    27   1    -0.05   0.33   0.06     0.04  -0.04   0.00     0.22  -0.33  -0.03
    28   1    -0.13  -0.29  -0.06     0.04   0.04   0.01     0.40   0.21   0.09
    29   1     0.07  -0.16  -0.02    -0.01   0.02   0.00     0.10  -0.15  -0.01
    30   1    -0.04  -0.01  -0.00    -0.00   0.01   0.00     0.14  -0.23  -0.05
    31   1    -0.04  -0.01  -0.01    -0.00   0.01   0.00     0.13  -0.23   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1078.8280              1091.2664              1149.9100
 Red. masses --      2.2889                 1.6725                 1.4790
 Frc consts  --      1.5696                 1.1735                 1.1522
 IR Inten    --     13.7734                 5.2937                19.4667
 RamAct Fr= 1--     13.0439                 9.1168                 1.5445
  Dep-P Fr= 1--      0.5501                 0.1584                 0.4789
  Dep-U Fr= 1--      0.7098                 0.2735                 0.6477
 Alpha2 Fr= 1--      0.0498                 0.1380                 0.0084
 Beta2  Fr= 1--      1.5430                 0.4156                 0.1667
 AlphaG Fr= 1--      0.0598                -0.1547                -0.0028
 Gamma2 Fr= 1--     -2.1744                 0.8091                -0.4079
 Delta2 Fr= 1--      0.3350                -0.2309                -1.3130
 Raman1 Fr= 1--      52.176                 36.467                  6.178
 ROA1   Fr= 1--    -198.024                 70.286                -81.172
 CID1   Fr= 1--      -3.795                  1.927                -13.139
 Raman2 Fr= 1--      18.516                  4.987                  2.001
 ROA2   Fr= 1--     -54.866                 21.266                  0.715
 CID2   Fr= 1--      -2.963                  4.264                  0.357
 Raman3 Fr= 1--      37.032                  9.974                  4.001
 ROA3   Fr= 1--    -198.024                 70.286                -81.172
 CID3   Fr= 1--      -5.347                  7.047                -20.287
 RC180  Fr= 1--       0.420                 -0.453                  0.295
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.00    -0.04   0.01  -0.00     0.01  -0.08  -0.01
     2   6     0.01   0.02   0.01     0.01   0.00   0.00     0.02  -0.04  -0.00
     3   6    -0.01   0.01  -0.00    -0.04  -0.08  -0.01    -0.04   0.04   0.00
     4   6    -0.11   0.06   0.00     0.03   0.01  -0.01    -0.04   0.03  -0.01
     5   6    -0.01  -0.06  -0.02     0.01   0.02   0.01     0.01  -0.05  -0.01
     6   6     0.04  -0.03  -0.00     0.00  -0.01  -0.00    -0.02   0.05   0.01
     7   6    -0.01   0.01   0.00     0.00  -0.01  -0.00    -0.06   0.06   0.00
     8   1     0.17   0.08   0.05    -0.22  -0.15  -0.08     0.10   0.10   0.02
     9   1     0.06  -0.14   0.01    -0.01   0.04   0.00     0.22  -0.22  -0.01
    10   1     0.21   0.03   0.03    -0.07  -0.03  -0.02    -0.03   0.04   0.00
    11   6    -0.04   0.20   0.04     0.07   0.13   0.01     0.05  -0.02   0.01
    12   6     0.06  -0.11  -0.10    -0.11  -0.09   0.00    -0.02   0.02   0.01
    13   6     0.05  -0.11   0.07    -0.02   0.00  -0.05    -0.01   0.01  -0.01
    14   1     0.01  -0.08   0.28     0.43   0.01  -0.05     0.15  -0.05  -0.02
    15   1    -0.13   0.48   0.00     0.30  -0.19   0.17     0.04  -0.05   0.01
    16   1     0.08  -0.49   0.29     0.34  -0.27   0.06     0.02   0.05  -0.03
    17   1     0.02  -0.10   0.27    -0.09   0.53  -0.12    -0.01   0.05  -0.04
    18   8     0.01   0.03  -0.00    -0.03  -0.01   0.01    -0.00  -0.00   0.00
    19   8    -0.04   0.01  -0.04     0.03   0.01   0.03     0.01  -0.00   0.01
    20   1    -0.05   0.00  -0.13     0.03   0.01   0.07     0.01  -0.00   0.02
    21   6     0.01   0.00   0.00     0.02   0.01   0.00     0.05  -0.03   0.00
    22   6    -0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.03  -0.00  -0.00
    23   6    -0.01   0.00  -0.00     0.01  -0.02  -0.00    -0.02   0.06   0.01
    24   8     0.00   0.00   0.00    -0.01   0.02   0.00     0.04  -0.03  -0.00
    25   6     0.00   0.00   0.00     0.01  -0.02  -0.00    -0.00   0.04   0.01
    26   1    -0.04  -0.00  -0.00     0.04   0.01   0.01    -0.40  -0.07  -0.06
    27   1     0.06  -0.04   0.00     0.04  -0.01   0.00     0.61  -0.48  -0.01
    28   1    -0.06  -0.02  -0.01     0.02  -0.01  -0.00     0.09   0.11   0.03
    29   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.02  -0.08  -0.01
    30   1    -0.01   0.00   0.00     0.01  -0.02  -0.00    -0.04   0.03   0.01
    31   1    -0.00   0.00  -0.00     0.01  -0.02   0.00    -0.04   0.03  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1174.1047              1181.5610              1190.9476
 Red. masses --      1.2767                 1.4243                 1.9536
 Frc consts  --      1.0370                 1.1715                 1.6326
 IR Inten    --      0.8538                 4.4606                32.3966
 RamAct Fr= 1--      0.8867                 1.7150                33.3854
  Dep-P Fr= 1--      0.7497                 0.7462                 0.4426
  Dep-U Fr= 1--      0.8569                 0.8547                 0.6136
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.2108
 Beta2  Fr= 1--      0.1266                 0.2443                 3.4140
 AlphaG Fr= 1--     -0.0034                -0.0013                -0.0605
 Gamma2 Fr= 1--      0.0347                -1.0248               -11.4133
 Delta2 Fr= 1--      0.0188                -1.1820                 1.2578
 Raman1 Fr= 1--       3.547                  6.860                133.542
 ROA1   Fr= 1--       3.931               -136.205              -1055.430
 CID1   Fr= 1--       1.108                -19.855                 -7.903
 Raman2 Fr= 1--       1.520                  2.932                 40.969
 ROA2   Fr= 1--       0.682                -15.139               -283.982
 CID2   Fr= 1--       0.449                 -5.164                 -6.932
 Raman3 Fr= 1--       3.039                  5.863                 81.937
 ROA3   Fr= 1--       3.931               -136.205              -1055.430
 CID3   Fr= 1--       1.293                -23.231                -12.881
 RC180  Fr= 1--       0.714                  0.709                  0.227
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.03  -0.03  -0.01     0.05   0.03   0.01
     2   6     0.00   0.00  -0.00     0.00   0.07   0.01     0.06   0.06   0.02
     3   6    -0.00   0.00  -0.00    -0.01  -0.06  -0.01    -0.02  -0.01  -0.01
     4   6     0.00   0.00   0.00    -0.04   0.04  -0.01     0.02   0.01   0.03
     5   6     0.00  -0.00   0.00    -0.07   0.01  -0.00     0.01  -0.01  -0.01
     6   6    -0.00  -0.00   0.00     0.07  -0.06  -0.00    -0.02  -0.04  -0.01
     7   6    -0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.04  -0.02  -0.01
     8   1    -0.00  -0.00  -0.00     0.13  -0.01   0.00    -0.23  -0.10   0.00
     9   1     0.00  -0.00  -0.00    -0.55   0.38  -0.00    -0.11   0.08   0.02
    10   1    -0.00  -0.00  -0.00     0.57   0.13   0.10    -0.19  -0.11  -0.04
    11   6    -0.00   0.00  -0.00     0.02  -0.04   0.02     0.01   0.02  -0.11
    12   6    -0.00  -0.00  -0.00     0.00   0.03   0.00    -0.01  -0.01   0.04
    13   6     0.00  -0.00   0.00    -0.01   0.01  -0.02     0.03  -0.00   0.18
    14   1    -0.00   0.00   0.00     0.13  -0.05  -0.03    -0.07   0.02  -0.06
    15   1     0.00   0.00   0.00    -0.02  -0.00  -0.01     0.06  -0.14   0.03
    16   1     0.00  -0.00   0.00    -0.02   0.05  -0.02     0.02   0.10  -0.09
    17   1    -0.00   0.00   0.00     0.00  -0.03  -0.00     0.00   0.07  -0.10
    18   8     0.00   0.00  -0.00    -0.01  -0.00   0.00     0.05   0.02  -0.01
    19   8    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.07  -0.02  -0.04
    20   1    -0.00  -0.00  -0.00     0.03   0.01   0.10    -0.16  -0.02  -0.55
    21   6    -0.00  -0.00   0.00     0.03   0.02   0.01     0.03  -0.01   0.00
    22   6     0.00   0.00   0.00     0.02  -0.02  -0.00     0.05   0.01   0.01
    23   6    -0.00   0.00   0.00     0.04   0.00   0.01    -0.01  -0.00  -0.00
    24   8     0.01   0.01  -0.06    -0.03   0.03   0.00    -0.02   0.03   0.00
    25   6    -0.02  -0.02   0.13     0.00  -0.03  -0.00    -0.03  -0.04  -0.01
    26   1     0.00   0.00  -0.00    -0.17  -0.06  -0.03    -0.34  -0.14  -0.07
    27   1     0.00   0.00  -0.01     0.21  -0.12   0.00     0.13  -0.09  -0.00
    28   1     0.00   0.00  -0.02    -0.09  -0.05  -0.02    -0.33  -0.13  -0.06
    29   1     0.03   0.05  -0.28    -0.02   0.07   0.01    -0.08   0.24   0.03
    30   1    -0.22   0.63  -0.10     0.03  -0.02  -0.01     0.12  -0.05  -0.02
    31   1     0.26  -0.56  -0.25     0.03  -0.02   0.01     0.11  -0.06   0.03
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1196.3352              1198.5238              1222.2210
 Red. masses --      1.6145                 1.7016                 1.7332
 Frc consts  --      1.3614                 1.4402                 1.5254
 IR Inten    --     28.3420                11.5245                17.9334
 RamAct Fr= 1--     86.5007                22.6084                 3.4268
  Dep-P Fr= 1--      0.1842                 0.7307                 0.2801
  Dep-U Fr= 1--      0.3110                 0.8444                 0.4376
 Alpha2 Fr= 1--      1.2247                 0.0075                 0.0373
 Beta2  Fr= 1--      4.4843                 3.1819                 0.2500
 AlphaG Fr= 1--     -0.0256                 0.0201                -0.0512
 Gamma2 Fr= 1--     13.0080                10.8034                 0.7635
 Delta2 Fr= 1--      0.9043                -0.8622                 0.0706
 Raman1 Fr= 1--     346.003                 90.434                 13.707
 ROA1   Fr= 1--    1277.708               1009.534                 75.561
 CID1   Fr= 1--       3.693                 11.163                  5.512
 Raman2 Fr= 1--      53.812                 38.182                  2.999
 ROA2   Fr= 1--     304.959                266.179                 17.760
 CID2   Fr= 1--       5.667                  6.971                  5.921
 Raman3 Fr= 1--     107.623                 76.365                  5.999
 ROA3   Fr= 1--    1277.708               1009.534                 75.561
 CID3   Fr= 1--      11.872                 13.220                 12.596
 RC180  Fr= 1--      -0.378                  0.689                 -0.125
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.01    -0.06  -0.03  -0.01    -0.07  -0.04  -0.02
     2   6    -0.02  -0.01  -0.00    -0.06  -0.04  -0.01    -0.11  -0.06  -0.03
     3   6     0.02   0.01   0.00     0.02  -0.01  -0.01     0.03   0.01   0.00
     4   6     0.15  -0.07   0.01    -0.00  -0.02   0.02     0.03  -0.04   0.00
     5   6     0.00   0.05   0.01    -0.02   0.02  -0.00     0.01   0.03   0.01
     6   6    -0.01   0.03   0.00     0.03   0.03   0.01     0.00   0.05   0.01
     7   6    -0.02  -0.04  -0.01     0.03   0.01   0.01     0.00   0.03   0.01
     8   1    -0.45  -0.17  -0.08     0.10   0.02   0.05     0.13   0.04   0.03
     9   1    -0.27   0.26   0.01    -0.10   0.09   0.02     0.08  -0.01   0.01
    10   1     0.01   0.04   0.01     0.32   0.15   0.07     0.19   0.13   0.05
    11   6    -0.10   0.05   0.01     0.04   0.02  -0.08     0.00   0.02  -0.01
    12   6     0.02  -0.04  -0.03    -0.03  -0.01   0.03    -0.01  -0.01  -0.00
    13   6     0.01  -0.02  -0.03     0.02  -0.00   0.13     0.00  -0.01   0.02
    14   1    -0.39   0.14   0.06     0.01   0.01  -0.05    -0.10   0.04   0.02
    15   1    -0.05   0.11  -0.01     0.07  -0.12   0.04     0.02  -0.00   0.01
    16   1    -0.03  -0.13   0.08     0.05   0.06  -0.07     0.03  -0.03   0.00
    17   1     0.01  -0.02   0.08    -0.01   0.09  -0.10    -0.01   0.03  -0.01
    18   8    -0.01   0.00  -0.00     0.03   0.01  -0.01     0.00   0.00  -0.00
    19   8     0.01   0.01   0.00    -0.05  -0.01  -0.03    -0.01  -0.00  -0.00
    20   1     0.03   0.00   0.10    -0.12  -0.01  -0.39    -0.02   0.00  -0.05
    21   6     0.01  -0.01  -0.00    -0.02   0.01  -0.00     0.00   0.01   0.00
    22   6    -0.04   0.00  -0.00    -0.07  -0.01  -0.01     0.01  -0.01  -0.00
    23   6     0.01   0.01   0.00     0.02   0.00   0.00     0.01  -0.03  -0.00
    24   8     0.02  -0.02  -0.00     0.01  -0.04  -0.01     0.09   0.03   0.02
    25   6     0.01   0.03   0.01     0.05   0.06   0.02    -0.13  -0.04  -0.02
    26   1    -0.34  -0.16  -0.07     0.26   0.10   0.05     0.07   0.06   0.02
    27   1     0.22  -0.18  -0.00    -0.03   0.02  -0.00     0.08  -0.05   0.00
    28   1     0.25   0.10   0.05     0.43   0.16   0.08     0.26   0.06   0.04
    29   1     0.04  -0.13  -0.02     0.14  -0.38  -0.05    -0.25   0.59   0.07
    30   1    -0.05   0.02   0.01    -0.19   0.08   0.04     0.38  -0.14  -0.06
    31   1    -0.05   0.03  -0.02    -0.18   0.10  -0.05     0.36  -0.17   0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1251.8686              1297.6251              1302.0309
 Red. masses --      2.3392                 1.9761                 1.7375
 Frc consts  --      2.1599                 1.9605                 1.7355
 IR Inten    --    150.6374                85.2340                19.9386
 RamAct Fr= 1--      4.8349                 9.5337                18.4864
  Dep-P Fr= 1--      0.3109                 0.2994                 0.3549
  Dep-U Fr= 1--      0.4743                 0.4609                 0.5238
 Alpha2 Fr= 1--      0.0480                 0.0979                 0.1597
 Beta2  Fr= 1--      0.3822                 0.7323                 1.6140
 AlphaG Fr= 1--      0.0762                 0.0683                -0.0458
 Gamma2 Fr= 1--     -0.2488                 2.8698                -9.5276
 Delta2 Fr= 1--     -0.7642                 0.2300                -1.0117
 Raman1 Fr= 1--      19.339                 38.135                 73.946
 ROA1   Fr= 1--     -48.343                282.857               -947.021
 CID1   Fr= 1--      -2.500                  7.417                -12.807
 Raman2 Fr= 1--       4.586                  8.787                 19.367
 ROA2   Fr= 1--       0.141                 67.034               -220.569
 CID2   Fr= 1--       0.031                  7.628                -11.389
 Raman3 Fr= 1--       9.173                 17.575                 38.735
 ROA3   Fr= 1--     -48.343                282.857               -947.021
 CID3   Fr= 1--      -5.270                 16.094                -24.449
 RC180  Fr= 1--      -0.051                 -0.078                  0.048
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.16   0.10   0.04     0.02  -0.07  -0.01    -0.05   0.11   0.01
     2   6     0.01   0.01   0.00     0.15  -0.03   0.01    -0.01   0.12   0.02
     3   6    -0.04  -0.04  -0.01    -0.05   0.02  -0.00     0.03  -0.04  -0.01
     4   6    -0.09   0.11  -0.01     0.03  -0.01   0.01    -0.03  -0.01   0.01
     5   6     0.01  -0.01   0.00    -0.02  -0.03  -0.01     0.02  -0.01  -0.00
     6   6    -0.00  -0.04  -0.01     0.01   0.04   0.01    -0.00  -0.05  -0.01
     7   6     0.01  -0.06  -0.01    -0.02  -0.01  -0.00    -0.01  -0.07  -0.01
     8   1    -0.46  -0.19  -0.10     0.01   0.04   0.02     0.44   0.11   0.09
     9   1     0.06  -0.06  -0.01    -0.32   0.20   0.00    -0.03   0.03   0.02
    10   1     0.33   0.09   0.06    -0.00   0.03   0.01    -0.31  -0.18  -0.07
    11   6    -0.02  -0.04   0.01     0.03   0.01  -0.02     0.05   0.04  -0.07
    12   6     0.02   0.02   0.01    -0.01  -0.01   0.00    -0.01   0.01   0.04
    13   6    -0.01   0.01   0.01     0.00  -0.01  -0.00     0.00  -0.02  -0.02
    14   1     0.39  -0.13  -0.10    -0.27  -0.01   0.15    -0.25  -0.34   0.44
    15   1    -0.04  -0.02  -0.03     0.02  -0.01   0.02     0.03  -0.12   0.02
    16   1    -0.07   0.08  -0.02     0.03  -0.00  -0.01     0.04   0.09  -0.06
    17   1     0.02  -0.06   0.02    -0.01   0.03  -0.03     0.01  -0.06  -0.10
    18   8     0.01  -0.00  -0.00    -0.02  -0.00   0.00    -0.03  -0.01   0.00
    19   8     0.00  -0.00  -0.00     0.01   0.00  -0.01     0.01   0.01  -0.01
    20   1     0.01  -0.00   0.05     0.02  -0.00   0.09     0.05  -0.00   0.18
    21   6    -0.02  -0.05  -0.01    -0.02   0.01  -0.00     0.02   0.01   0.00
    22   6    -0.12   0.07  -0.00    -0.12   0.11   0.00    -0.07   0.02  -0.00
    23   6    -0.07  -0.05  -0.02    -0.07  -0.01  -0.01     0.03  -0.05  -0.01
    24   8     0.11  -0.03   0.01     0.09  -0.04   0.00     0.03  -0.01   0.00
    25   6    -0.05   0.04   0.00    -0.03   0.04   0.00    -0.01   0.02   0.00
    26   1    -0.09  -0.11  -0.03     0.58   0.22   0.11    -0.13  -0.12  -0.04
    27   1    -0.21   0.09  -0.01     0.13  -0.12  -0.01     0.09  -0.06   0.00
    28   1     0.39   0.12   0.07    -0.44  -0.14  -0.08     0.28   0.05   0.04
    29   1    -0.04   0.04   0.00    -0.01  -0.01  -0.00     0.00  -0.05  -0.01
    30   1     0.14  -0.05  -0.00     0.09  -0.05   0.01     0.05  -0.03   0.00
    31   1     0.14  -0.06   0.02     0.09  -0.04  -0.00     0.05  -0.02  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1305.0618              1328.0274              1342.4154
 Red. masses --      1.5657                 1.7304                 1.7761
 Frc consts  --      1.5712                 1.7981                 1.8858
 IR Inten    --     32.5200               252.5440                12.8637
 RamAct Fr= 1--     13.8261                 1.5754                24.5837
  Dep-P Fr= 1--      0.3772                 0.4187                 0.2540
  Dep-U Fr= 1--      0.5478                 0.5903                 0.4052
 Alpha2 Fr= 1--      0.1109                 0.0109                 0.2881
 Beta2  Fr= 1--      1.2624                 0.1550                 1.6600
 AlphaG Fr= 1--      0.1109                 0.0336                 0.2481
 Gamma2 Fr= 1--      9.0426                -0.7002                 1.0641
 Delta2 Fr= 1--     -1.8952                 0.1211                -2.5213
 Raman1 Fr= 1--      55.304                  6.302                 98.335
 ROA1   Fr= 1--     807.443                -63.342                 21.473
 CID1   Fr= 1--      14.600                -10.052                  0.218
 Raman2 Fr= 1--      15.148                  1.860                 19.920
 ROA2   Fr= 1--     232.185                -17.773                 45.709
 CID2   Fr= 1--      15.327                 -9.556                  2.295
 Raman3 Fr= 1--      30.297                  3.720                 39.841
 ROA3   Fr= 1--     807.443                -63.342                 21.473
 CID3   Fr= 1--      26.651                -17.029                  0.539
 RC180  Fr= 1--       0.096                  0.181                 -0.190
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.05  -0.00     0.00   0.00   0.00    -0.09  -0.02  -0.01
     2   6    -0.01  -0.08  -0.02    -0.00   0.00   0.00    -0.03   0.01  -0.00
     3   6    -0.02   0.03  -0.00     0.00   0.00  -0.00     0.06  -0.03   0.00
     4   6    -0.02   0.01   0.02    -0.00  -0.00   0.00     0.10   0.05   0.00
     5   6    -0.02   0.02  -0.00    -0.00  -0.00  -0.00     0.00  -0.01  -0.00
     6   6    -0.00   0.02   0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
     7   6     0.01   0.05   0.01     0.00   0.00   0.00    -0.03  -0.02  -0.01
     8   1    -0.35  -0.09  -0.04     0.01   0.01   0.02    -0.16  -0.12  -0.04
     9   1     0.08  -0.06   0.01     0.02  -0.02   0.00     0.11  -0.10  -0.01
    10   1     0.29   0.13   0.06    -0.02  -0.01  -0.00    -0.04  -0.00  -0.01
    11   6     0.06   0.05  -0.09     0.02  -0.01  -0.02    -0.16   0.04  -0.04
    12   6    -0.00   0.00   0.05    -0.01  -0.02  -0.01     0.06   0.01   0.05
    13   6     0.01  -0.02  -0.02     0.02   0.01   0.19     0.01  -0.01   0.03
    14   1    -0.27  -0.43   0.54     0.01   0.24  -0.25     0.56  -0.46   0.09
    15   1     0.02  -0.13   0.02     0.00   0.08   0.03    -0.16  -0.08  -0.09
    16   1     0.01   0.14  -0.09     0.03   0.00  -0.04    -0.18   0.16  -0.03
    17   1     0.02  -0.00  -0.10    -0.01   0.09  -0.03     0.07  -0.10  -0.04
    18   8    -0.04  -0.01   0.00    -0.04  -0.01  -0.03     0.01   0.00  -0.01
    19   8     0.01   0.01  -0.01     0.01   0.01  -0.13    -0.00   0.00  -0.02
    20   1     0.06   0.00   0.20     0.21   0.01   0.87     0.03   0.01   0.13
    21   6    -0.01  -0.02  -0.00    -0.00  -0.00  -0.00    -0.00   0.04   0.01
    22   6     0.07  -0.04   0.00     0.01  -0.01  -0.00     0.01   0.03   0.01
    23   6    -0.01   0.04   0.00     0.00   0.00   0.00     0.05  -0.02   0.00
    24   8    -0.04   0.02  -0.00    -0.01   0.00  -0.00    -0.01  -0.01  -0.00
    25   6     0.01  -0.02  -0.00     0.00  -0.00  -0.00     0.01   0.00   0.00
    26   1    -0.09   0.01  -0.01    -0.03  -0.01  -0.00     0.28   0.10   0.05
    27   1    -0.15   0.10  -0.00    -0.02   0.01   0.00     0.24  -0.16   0.00
    28   1    -0.09   0.01  -0.01    -0.00   0.00   0.00    -0.13  -0.09  -0.03
    29   1     0.00   0.03   0.01     0.00   0.00   0.00     0.01   0.00   0.00
    30   1    -0.05   0.03  -0.01    -0.01  -0.00   0.00    -0.02   0.00   0.01
    31   1    -0.05   0.02   0.00    -0.00  -0.00  -0.00    -0.02   0.00  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1385.7297              1407.3526              1412.7108
 Red. masses --      1.8058                 4.8688                 1.2713
 Frc consts  --      2.0431                 5.6817                 1.4948
 IR Inten    --     15.0501                 3.5742                12.5193
 RamAct Fr= 1--     15.6769               655.1148                16.9743
  Dep-P Fr= 1--      0.2227                 0.2236                 0.1953
  Dep-U Fr= 1--      0.3643                 0.3655                 0.3268
 Alpha2 Fr= 1--      0.2003                 8.3503                 0.2334
 Beta2  Fr= 1--      0.9519                39.9071                 0.9244
 AlphaG Fr= 1--     -0.2886                 3.6152                 0.1901
 Gamma2 Fr= 1--      0.3024                 9.7212                -1.5071
 Delta2 Fr= 1--      2.0497                -1.8747                -1.4934
 Raman1 Fr= 1--      62.708               2620.459                 67.897
 ROA1   Fr= 1--      94.624                873.251               -192.467
 CID1   Fr= 1--       1.509                  0.333                 -2.835
 Raman2 Fr= 1--      11.423                478.885                 11.093
 ROA2   Fr= 1--      -9.140                248.307                -24.222
 CID2   Fr= 1--      -0.800                  0.519                 -2.184
 Raman3 Fr= 1--      22.845                957.770                 22.186
 ROA3   Fr= 1--      94.624                873.251               -192.467
 CID3   Fr= 1--       4.142                  0.912                 -8.675
 RC180  Fr= 1--      -0.271                 -0.269                 -0.346
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.06  -0.01    -0.10   0.28   0.04    -0.02   0.02   0.00
     2   6     0.06  -0.01   0.01     0.08  -0.27  -0.04     0.01  -0.01  -0.00
     3   6    -0.06   0.05   0.00     0.15   0.07   0.03     0.02   0.01   0.00
     4   6     0.02  -0.09  -0.03    -0.09  -0.20  -0.05    -0.02  -0.01  -0.00
     5   6     0.01  -0.04  -0.01    -0.17   0.10  -0.00    -0.04   0.01  -0.00
     6   6     0.06   0.06   0.02     0.16   0.04   0.03     0.03  -0.01   0.00
     7   6     0.05   0.06   0.02    -0.03  -0.07  -0.02     0.01  -0.01  -0.00
     8   1     0.15   0.14   0.04     0.09   0.06   0.02     0.00   0.00  -0.00
     9   1    -0.38   0.26  -0.00     0.07  -0.09  -0.01     0.03  -0.04  -0.00
    10   1    -0.35  -0.10  -0.06     0.13   0.02   0.02    -0.02  -0.03  -0.01
    11   6    -0.07   0.05  -0.01     0.00   0.03  -0.00     0.02  -0.00   0.01
    12   6     0.02   0.01   0.02    -0.02   0.05  -0.00     0.04  -0.12   0.04
    13   6     0.00  -0.00   0.01     0.00  -0.00   0.02    -0.01  -0.00  -0.03
    14   1     0.45  -0.24   0.01     0.36  -0.13  -0.03    -0.02   0.02   0.00
    15   1    -0.05  -0.06  -0.03     0.13  -0.18   0.01    -0.34   0.46   0.02
    16   1    -0.05   0.04   0.00     0.12  -0.10   0.09    -0.24   0.35  -0.32
    17   1     0.02  -0.05  -0.03    -0.02  -0.21   0.04     0.04   0.57  -0.19
    18   8     0.01   0.00  -0.00     0.00   0.00  -0.00     0.01   0.00   0.00
    19   8    -0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.00   0.00   0.01
    20   1     0.01  -0.00   0.04     0.00   0.01   0.01    -0.01  -0.00  -0.04
    21   6     0.02  -0.01  -0.00     0.03  -0.04  -0.00    -0.00   0.00  -0.00
    22   6    -0.04  -0.12  -0.03     0.01   0.11   0.02    -0.01  -0.01  -0.00
    23   6    -0.07   0.06   0.00    -0.05   0.00  -0.01    -0.00   0.01   0.00
    24   8     0.02   0.02   0.01    -0.00  -0.01  -0.00     0.01  -0.00   0.00
    25   6    -0.02   0.00  -0.00     0.01   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.22  -0.04  -0.03    -0.29  -0.18  -0.07    -0.04  -0.03  -0.01
    27   1    -0.30   0.24   0.01     0.06  -0.07  -0.01    -0.01   0.00  -0.00
    28   1     0.16   0.16   0.05    -0.41  -0.14  -0.07    -0.04  -0.00  -0.01
    29   1    -0.02  -0.01  -0.00     0.01   0.04   0.01    -0.00  -0.01  -0.00
    30   1     0.07  -0.02  -0.01    -0.05   0.01   0.01     0.02  -0.01   0.00
    31   1     0.07  -0.02   0.02    -0.05   0.02  -0.02     0.02  -0.01  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1427.1913              1454.1039              1476.8079
 Red. masses --      3.3694                 3.6749                 1.2392
 Frc consts  --      4.0436                 4.5781                 1.5924
 IR Inten    --     75.6317                11.1073                 6.1647
 RamAct Fr= 1--     77.1441               184.1773                16.5410
  Dep-P Fr= 1--      0.2019                 0.2389                 0.5402
  Dep-U Fr= 1--      0.3359                 0.3857                 0.7015
 Alpha2 Fr= 1--      1.0425                 2.2511                 0.0668
 Beta2  Fr= 1--      4.3191                11.8399                 1.9339
 AlphaG Fr= 1--     -0.2115                -0.7575                 0.0341
 Gamma2 Fr= 1--      0.8728                 3.5420                 2.9777
 Delta2 Fr= 1--      9.0741                -0.6462                 0.0407
 Raman1 Fr= 1--     308.576                736.709                 66.164
 ROA1   Fr= 1--     374.158                319.349                287.159
 CID1   Fr= 1--       1.213                  0.433                  4.340
 Raman2 Fr= 1--      51.829                142.079                 23.206
 ROA2   Fr= 1--     -51.646                 90.177                 71.139
 CID2   Fr= 1--      -0.996                  0.635                  3.066
 Raman3 Fr= 1--     103.658                284.158                 46.413
 ROA3   Fr= 1--     374.158                319.349                287.159
 CID3   Fr= 1--       3.610                  1.124                  6.187
 RC180  Fr= 1--      -0.328                 -0.229                  0.403
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.02    -0.19   0.00  -0.02     0.02  -0.00   0.00
     2   6     0.05  -0.10  -0.01     0.18  -0.01   0.02    -0.00   0.02   0.00
     3   6    -0.10  -0.07  -0.02     0.11  -0.06   0.00     0.02   0.02   0.00
     4   6     0.08   0.02   0.01     0.04   0.19   0.04    -0.03   0.00  -0.00
     5   6     0.13  -0.04   0.01    -0.12  -0.05  -0.02    -0.01  -0.02  -0.00
     6   6    -0.13   0.05  -0.01     0.10  -0.00   0.01     0.04   0.01   0.01
     7   6    -0.15   0.02  -0.01    -0.12   0.02  -0.01    -0.00  -0.03  -0.00
     8   1     0.52   0.16   0.09    -0.32  -0.23  -0.08    -0.10  -0.03  -0.02
     9   1    -0.17   0.21   0.02     0.11  -0.24  -0.03    -0.08   0.04  -0.00
    10   1     0.23   0.21   0.07    -0.13  -0.10  -0.03    -0.14  -0.06  -0.03
    11   6    -0.04   0.01   0.00     0.02  -0.05  -0.01     0.01  -0.00   0.00
    12   6     0.02  -0.03   0.02     0.00   0.02  -0.02    -0.00  -0.00  -0.00
    13   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.04  -0.03   0.00    -0.33   0.12   0.01     0.00  -0.00   0.00
    15   1    -0.13   0.11  -0.02     0.04  -0.07  -0.02     0.03   0.01   0.02
    16   1    -0.05   0.08  -0.07    -0.02  -0.06   0.07    -0.00   0.02  -0.02
    17   1     0.02   0.09  -0.09    -0.01  -0.04   0.06    -0.01   0.00   0.03
    18   8     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1     0.01  -0.01   0.03    -0.01   0.01  -0.02     0.00   0.00   0.00
    21   6     0.16  -0.09   0.00     0.16   0.02   0.02    -0.04   0.04   0.00
    22   6     0.13   0.14   0.04     0.00  -0.15  -0.03    -0.01  -0.02  -0.00
    23   6    -0.14  -0.10  -0.03    -0.15   0.03  -0.01    -0.03  -0.01  -0.00
    24   8    -0.06   0.00  -0.01    -0.00   0.04   0.01     0.03  -0.02   0.00
    25   6     0.04  -0.04  -0.00    -0.03  -0.01  -0.00     0.05  -0.08  -0.01
    26   1     0.01   0.10   0.02     0.10   0.13   0.03     0.12   0.02   0.02
    27   1    -0.11   0.14   0.01    -0.11   0.26   0.03     0.11  -0.08  -0.00
    28   1     0.30   0.06   0.05     0.36   0.23   0.09     0.14   0.06   0.03
    29   1    -0.00   0.14   0.02    -0.01  -0.11  -0.02    -0.08   0.56   0.09
    30   1    -0.16   0.14  -0.03     0.14   0.05  -0.05    -0.31   0.40  -0.13
    31   1    -0.17   0.13   0.04     0.12   0.02   0.09    -0.35   0.34   0.18
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1493.4721              1497.9606              1506.0665
 Red. masses --      1.0460                 1.0491                 1.0643
 Frc consts  --      1.3746                 1.3870                 1.4224
 IR Inten    --      8.7972                11.2825                37.1904
 RamAct Fr= 1--      9.7870                 4.3622                 1.5758
  Dep-P Fr= 1--      0.7499                 0.7500                 0.7091
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8298
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0011
 Beta2  Fr= 1--      1.3980                 0.6232                 0.2179
 AlphaG Fr= 1--     -0.0046                 0.0008                -0.0063
 Gamma2 Fr= 1--     -0.0222                 0.5634                -0.6412
 Delta2 Fr= 1--     -0.1587                -1.4570                 0.0995
 Raman1 Fr= 1--      39.148                 17.449                  6.303
 ROA1   Fr= 1--      -7.211                  7.467                -58.370
 CID1   Fr= 1--      -0.184                  0.428                 -9.260
 Raman2 Fr= 1--      16.776                  7.478                  2.615
 ROA2   Fr= 1--       0.737                 25.178                -16.185
 CID2   Fr= 1--       0.044                  3.367                 -6.189
 Raman3 Fr= 1--      33.553                 14.956                  5.230
 ROA3   Fr= 1--      -7.211                  7.467                -58.370
 CID3   Fr= 1--      -0.215                  0.499                -11.160
 RC180  Fr= 1--       0.714                  0.714                  0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01   0.01   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.01   0.00   0.00    -0.01   0.01   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.02  -0.00
     5   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00     0.00   0.01   0.00
     6   6     0.00   0.00   0.00     0.00   0.01   0.00    -0.02  -0.01  -0.00
     7   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.01  -0.00
     8   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.02   0.02   0.01
     9   1    -0.00   0.00  -0.00    -0.03   0.02   0.00     0.03  -0.00   0.00
    10   1    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00     0.05   0.02   0.01
    11   6     0.00  -0.00   0.00    -0.03  -0.00  -0.01    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.03  -0.03  -0.03    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00     0.05  -0.07   0.01     0.03  -0.00  -0.00
    15   1     0.00   0.00   0.00     0.52   0.29   0.35    -0.02   0.03   0.00
    16   1     0.00   0.00  -0.00     0.04   0.32  -0.37     0.05  -0.00  -0.01
    17   1    -0.00  -0.00   0.00    -0.08  -0.16   0.48     0.01  -0.03  -0.05
    18   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    21   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.01   0.01  -0.00
    22   6     0.00   0.00  -0.00     0.01  -0.00   0.00     0.01   0.00   0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.00
    24   8     0.00   0.00  -0.01    -0.01   0.00  -0.00    -0.02  -0.01  -0.00
    25   6     0.01   0.01  -0.06    -0.00   0.00   0.00    -0.04  -0.03  -0.01
    26   1     0.00   0.00  -0.00     0.02   0.01   0.00     0.02  -0.00   0.00
    27   1     0.00   0.00  -0.00     0.01  -0.00   0.00     0.03  -0.03  -0.00
    28   1     0.00   0.00  -0.03     0.01   0.00   0.00    -0.04  -0.01  -0.01
    29   1    -0.09  -0.12   0.70     0.01  -0.04  -0.01     0.04  -0.36  -0.06
    30   1    -0.48   0.07   0.02     0.03  -0.02   0.00     0.36   0.48  -0.26
    31   1     0.47  -0.09   0.11     0.03  -0.02  -0.00     0.27   0.35   0.48
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1510.3555              1525.3906              1544.4454
 Red. masses --      1.0532                 2.4071                 3.5186
 Frc consts  --      1.4156                 3.2999                 4.9450
 IR Inten    --      7.2695                46.7227                34.2361
 RamAct Fr= 1--     12.5835               146.2099                 0.9437
  Dep-P Fr= 1--      0.4224                 0.2475                 0.7481
  Dep-U Fr= 1--      0.5939                 0.3968                 0.8559
 Alpha2 Fr= 1--      0.0859                 1.7451                 0.0000
 Beta2  Fr= 1--      1.2456                 9.6688                 0.1346
 AlphaG Fr= 1--      0.1983                 0.3574                -0.0040
 Gamma2 Fr= 1--      3.2933                 2.3987                 1.3898
 Delta2 Fr= 1--      3.6345                -2.0165                -0.3886
 Raman1 Fr= 1--      50.334                584.840                  3.775
 ROA1   Fr= 1--     432.462                165.745                120.984
 CID1   Fr= 1--       8.592                  0.283                 32.049
 Raman2 Fr= 1--      14.947                116.026                  1.616
 ROA2   Fr= 1--      49.963                 73.701                 36.463
 CID2   Fr= 1--       3.343                  0.635                 22.571
 Raman3 Fr= 1--      29.895                232.051                  3.231
 ROA3   Fr= 1--     432.462                165.745                120.984
 CID3   Fr= 1--      14.466                  0.714                 37.444
 RC180  Fr= 1--       0.188                 -0.206                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.09   0.03   0.02    -0.12  -0.04  -0.02
     2   6     0.00   0.00   0.00    -0.10  -0.04  -0.02    -0.14  -0.08  -0.03
     3   6     0.00  -0.00   0.00     0.06   0.04   0.01     0.06  -0.05  -0.00
     4   6     0.01   0.01  -0.00    -0.12   0.01  -0.01    -0.04   0.17   0.03
     5   6    -0.00  -0.00  -0.00     0.06  -0.09  -0.01     0.07  -0.14  -0.02
     6   6     0.00  -0.00   0.00     0.09   0.08   0.03     0.11   0.12   0.03
     7   6    -0.00  -0.00  -0.00    -0.10  -0.06  -0.02     0.12   0.10   0.03
     8   1    -0.05  -0.02  -0.01    -0.22  -0.06  -0.03    -0.16  -0.14  -0.04
     9   1     0.01  -0.01  -0.00    -0.36   0.23   0.00    -0.33   0.15  -0.01
    10   1    -0.00  -0.00  -0.00    -0.35  -0.09  -0.06    -0.39  -0.07  -0.06
    11   6    -0.02  -0.01   0.02     0.03  -0.00   0.01     0.02  -0.03  -0.00
    12   6    -0.03   0.00   0.04     0.00   0.00   0.00     0.00   0.00  -0.00
    13   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.01    -0.00   0.00  -0.01
    14   1     0.02   0.02  -0.02     0.02   0.01  -0.00    -0.13   0.04   0.01
    15   1    -0.13   0.36   0.08    -0.07  -0.02  -0.04    -0.00   0.03   0.00
    16   1     0.64   0.02  -0.20     0.01  -0.03   0.04     0.03   0.00  -0.01
    17   1     0.05  -0.39  -0.48     0.01   0.04  -0.07     0.01  -0.03  -0.01
    18   8     0.01   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1    -0.00   0.00  -0.01     0.01   0.00   0.01    -0.00   0.01  -0.00
    21   6    -0.00   0.00   0.00    -0.05   0.08   0.01     0.04  -0.14  -0.02
    22   6    -0.00  -0.01  -0.00     0.16  -0.01   0.02    -0.06   0.18   0.03
    23   6    -0.00   0.00   0.00    -0.05  -0.04  -0.01     0.09  -0.04   0.00
    24   8     0.00   0.00   0.00    -0.05   0.02  -0.00     0.00  -0.03  -0.00
    25   6     0.00   0.00   0.00    -0.02   0.03   0.00     0.01  -0.01  -0.00
    26   1     0.01   0.00   0.00     0.34   0.10   0.06    -0.40  -0.10  -0.07
    27   1     0.00   0.00   0.00     0.30  -0.19   0.00    -0.28   0.10  -0.02
    28   1     0.01   0.01   0.00     0.21   0.05   0.04    -0.24  -0.18  -0.06
    29   1    -0.01   0.04   0.01     0.03  -0.26  -0.04     0.02  -0.04  -0.00
    30   1    -0.03  -0.04   0.02     0.15  -0.18   0.06     0.02   0.15  -0.06
    31   1    -0.02  -0.03  -0.04     0.16  -0.16  -0.08     0.00   0.12   0.11
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1616.9798              1653.3001              1672.5286
 Red. masses --      6.9561                 5.5336                 6.1136
 Frc consts  --     10.7158                 8.9117                10.0762
 IR Inten    --      2.5330               118.0767                58.5160
 RamAct Fr= 1--     43.8491                18.4596               268.2657
  Dep-P Fr= 1--      0.1670                 0.3958                 0.4343
  Dep-U Fr= 1--      0.2862                 0.5671                 0.6056
 Alpha2 Fr= 1--      0.6491                 0.1388                 1.7495
 Beta2  Fr= 1--      2.0915                 1.7449                27.0769
 AlphaG Fr= 1--      0.9718                 0.2226                 0.6913
 Gamma2 Fr= 1--     -2.5080                 0.3895                -8.4989
 Delta2 Fr= 1--     -1.4091                -5.4931                12.1404
 Raman1 Fr= 1--     175.396                 73.839               1073.063
 ROA1   Fr= 1--    -285.854               -138.391               -427.404
 CID1   Fr= 1--      -1.630                 -1.874                 -0.398
 Raman2 Fr= 1--      25.098                 20.938                324.923
 ROA2   Fr= 1--     -48.918                 53.292               -301.097
 CID2   Fr= 1--      -1.949                  2.545                 -0.927
 Raman3 Fr= 1--      50.195                 41.876                649.846
 ROA3   Fr= 1--    -285.854               -138.391               -427.404
 CID3   Fr= 1--      -5.695                 -3.305                 -0.658
 RC180  Fr= 1--      -0.428                  0.134                  0.211
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.28   0.04    -0.03   0.01  -0.00    -0.24  -0.06  -0.04
     2   6     0.07  -0.28  -0.04    -0.01   0.01   0.00     0.23   0.05   0.04
     3   6    -0.11  -0.17  -0.04     0.20   0.12   0.05     0.20   0.08   0.04
     4   6     0.04   0.21   0.05    -0.19  -0.11  -0.04    -0.13  -0.06  -0.03
     5   6     0.17  -0.14  -0.01     0.22  -0.05   0.02     0.18  -0.04   0.01
     6   6    -0.13   0.09   0.00    -0.21  -0.01  -0.03    -0.23  -0.04  -0.04
     7   6     0.12  -0.10  -0.00    -0.22  -0.01  -0.03     0.25   0.05   0.04
     8   1     0.35   0.01   0.04    -0.33  -0.07  -0.05    -0.31  -0.10  -0.05
     9   1    -0.17   0.14   0.00    -0.20   0.29   0.03    -0.12   0.20   0.02
    10   1     0.10   0.19   0.05     0.16   0.15   0.05     0.25   0.16   0.06
    11   6    -0.00  -0.02  -0.00     0.03   0.01   0.01     0.01   0.01   0.01
    12   6     0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00  -0.00    -0.01  -0.00  -0.01    -0.01  -0.00  -0.00
    14   1    -0.14   0.03   0.01     0.10  -0.01  -0.01     0.07  -0.01  -0.01
    15   1     0.01   0.00  -0.00    -0.02  -0.00  -0.00    -0.01   0.00  -0.00
    16   1    -0.04   0.01  -0.00     0.01  -0.01   0.00     0.02  -0.00  -0.00
    17   1     0.00   0.00   0.03     0.00   0.03  -0.03     0.00   0.01  -0.02
    18   8    -0.00  -0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
    19   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    20   1    -0.01  -0.00  -0.01     0.01   0.00   0.02     0.01   0.01   0.03
    21   6    -0.18   0.17   0.01     0.23  -0.04   0.02    -0.20   0.04  -0.02
    22   6    -0.05  -0.27  -0.05    -0.19  -0.11  -0.04     0.13   0.07   0.03
    23   6     0.10   0.19   0.05     0.18   0.11   0.04    -0.20  -0.08  -0.04
    24   8     0.03   0.01   0.01     0.03   0.01   0.01    -0.01  -0.01  -0.00
    25   6    -0.01   0.00  -0.00     0.01  -0.01  -0.00    -0.01   0.01   0.00
    26   1    -0.05  -0.18  -0.04     0.16   0.16   0.05    -0.28  -0.17  -0.06
    27   1     0.18  -0.13  -0.00    -0.17   0.29   0.03     0.09  -0.21  -0.03
    28   1    -0.35   0.03  -0.04    -0.30  -0.05  -0.05     0.29   0.10   0.05
    29   1    -0.03   0.05   0.01    -0.01   0.10   0.02     0.00  -0.05  -0.01
    30   1     0.01  -0.01  -0.00    -0.05   0.05  -0.03     0.02  -0.05   0.02
    31   1     0.01  -0.01   0.00    -0.05   0.05   0.03     0.03  -0.04  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1834.0161              3011.4000              3045.9794
 Red. masses --     10.0676                 1.0345                 1.0361
 Frc consts  --     19.9518                 5.5273                 5.6636
 IR Inten    --    481.7374                47.0011                12.7207
 RamAct Fr= 1--     21.7900               234.7459               194.3059
  Dep-P Fr= 1--      0.2948                 0.0656                 0.0206
  Dep-U Fr= 1--      0.4554                 0.1230                 0.0403
 Alpha2 Fr= 1--      0.2270                 4.4678                 4.1146
 Beta2  Fr= 1--      1.6537                 4.8139                 1.3067
 AlphaG Fr= 1--      0.6804                -0.6542                 0.4453
 Gamma2 Fr= 1--      2.4135                -2.4232                 2.3310
 Delta2 Fr= 1--      0.4946                 1.6313                 0.1068
 Raman1 Fr= 1--      87.160                938.984                777.224
 ROA1   Fr= 1--     247.525               -180.420                227.197
 CID1   Fr= 1--       2.840                 -0.192                  0.292
 Raman2 Fr= 1--      19.845                 57.766                 15.680
 ROA2   Fr= 1--      53.968                -71.206                 55.090
 CID2   Fr= 1--       2.720                 -1.233                  3.513
 Raman3 Fr= 1--      39.690                115.532                 31.360
 ROA3   Fr= 1--     247.525               -180.420                227.197
 CID3   Fr= 1--       6.236                 -1.562                  7.245
 RC180  Fr= 1--      -0.089                 -0.754                 -0.919
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.02  -0.01   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.01  -0.00   0.01    -0.00   0.00   0.00    -0.01   0.02   0.00
     9   1    -0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   1     0.01   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.04  -0.01   0.02     0.00   0.00   0.00    -0.00  -0.01  -0.01
    12   6     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.05  -0.01
    13   6     0.69   0.22  -0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1     0.13   0.06  -0.11    -0.00  -0.00  -0.00     0.04   0.08   0.08
    15   1    -0.06   0.06  -0.01     0.00   0.00  -0.00    -0.25  -0.15   0.50
    16   1     0.00   0.00  -0.02     0.00   0.00   0.00    -0.15  -0.45  -0.47
    17   1     0.02   0.04  -0.05    -0.00  -0.00  -0.00     0.44   0.02   0.06
    18   8    -0.44  -0.14   0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.05  -0.01   0.03    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1    -0.08  -0.00  -0.45     0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    22   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    23   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    24   8     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00    -0.00  -0.05  -0.01    -0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    28   1    -0.00   0.00  -0.00     0.01  -0.02  -0.00     0.00  -0.00  -0.00
    29   1    -0.00   0.00   0.00    -0.29  -0.05  -0.05    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.10   0.24   0.63     0.00   0.00   0.00
    31   1    -0.00  -0.00  -0.00     0.23   0.43  -0.47     0.00   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3064.4980              3068.0720              3109.7275
 Red. masses --      1.0831                 1.1058                 1.1017
 Frc consts  --      5.9929                 6.1328                 6.2771
 IR Inten    --      5.5271                32.6950                18.8235
 RamAct Fr= 1--     86.3141                57.1867                52.9074
  Dep-P Fr= 1--      0.2976                 0.7498                 0.3542
  Dep-U Fr= 1--      0.4587                 0.8570                 0.5231
 Alpha2 Fr= 1--      0.8917                 0.0002                 0.4582
 Beta2  Fr= 1--      6.5985                 8.1685                 4.6129
 AlphaG Fr= 1--      2.0621                -0.0939                -1.3851
 Gamma2 Fr= 1--     -2.1937                -3.2981                 2.7644
 Delta2 Fr= 1--      0.6853                -2.8413                 0.9445
 Raman1 Fr= 1--     345.256                228.747                211.630
 ROA1   Fr= 1--    -188.663               -407.539                295.605
 CID1   Fr= 1--      -0.546                 -1.782                  1.397
 Raman2 Fr= 1--      79.182                 98.022                 55.355
 ROA2   Fr= 1--     -58.130                -56.424                 58.790
 CID2   Fr= 1--      -0.734                 -0.576                  1.062
 Raman3 Fr= 1--     158.364                196.044                110.709
 ROA3   Fr= 1--    -188.663               -407.539                295.605
 CID3   Fr= 1--      -1.191                 -2.079                  2.670
 RC180  Fr= 1--      -0.083                  0.714                  0.046
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.00   0.01   0.00     0.00   0.00  -0.00     0.02  -0.04  -0.00
     9   1    -0.02  -0.02  -0.01     0.00   0.00  -0.00    -0.01  -0.01  -0.00
    10   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.03  -0.05  -0.06    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    12   6     0.01  -0.00   0.02    -0.00   0.00   0.00    -0.00  -0.03  -0.09
    13   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.32   0.63   0.66     0.00   0.00   0.00     0.06   0.13   0.13
    15   1     0.08   0.05  -0.15     0.00   0.00  -0.00    -0.29  -0.18   0.55
    16   1    -0.02  -0.04  -0.04    -0.00  -0.00  -0.00     0.16   0.49   0.48
    17   1    -0.14  -0.00  -0.01     0.00   0.00   0.00     0.19  -0.00   0.00
    18   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    19   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    20   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    23   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00  -0.00  -0.00     0.01   0.02  -0.09    -0.00  -0.00  -0.00
    26   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    28   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    29   1    -0.00  -0.00  -0.00     0.00   0.00  -0.02     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.12   0.26   0.64     0.00   0.00   0.00
    31   1     0.00   0.00  -0.00    -0.26  -0.46   0.47     0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3127.4157              3140.3598              3163.1443
 Red. masses --      1.1022                 1.0993                 1.0864
 Frc consts  --      6.3516                 6.3876                 6.4042
 IR Inten    --     14.8150                22.9133                 3.8318
 RamAct Fr= 1--    131.9890               178.4858                63.1850
  Dep-P Fr= 1--      0.5407                 0.4125                 0.7003
  Dep-U Fr= 1--      0.7019                 0.5841                 0.8237
 Alpha2 Fr= 1--      0.5311                 1.2637                 0.0547
 Beta2  Fr= 1--     15.4412                17.3744                 8.6747
 AlphaG Fr= 1--      0.4470                 0.2084                -0.0075
 Gamma2 Fr= 1--     -4.9941                 0.8498                -0.1184
 Delta2 Fr= 1--      3.5630                 1.0837                 2.3995
 Raman1 Fr= 1--     527.956                713.943                252.740
 ROA1   Fr= 1--    -365.415                116.261                 65.417
 CID1   Fr= 1--      -0.692                  0.163                  0.259
 Raman2 Fr= 1--     185.294                208.493                104.096
 ROA2   Fr= 1--    -148.361                 11.726                -22.037
 CID2   Fr= 1--      -0.801                  0.056                 -0.212
 Raman3 Fr= 1--     370.588                416.986                208.192
 ROA3   Fr= 1--    -365.415                116.261                 65.417
 CID3   Fr= 1--      -0.986                  0.279                  0.314
 RC180  Fr= 1--       0.404                  0.168                  0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.04   0.05   0.01
     6   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.05  -0.01
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   1     0.01  -0.02  -0.00     0.00  -0.00  -0.00    -0.01   0.03   0.00
     9   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.45  -0.58  -0.16
    10   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.25   0.61   0.08
    11   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    12   6    -0.09  -0.02   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    14   1     0.02   0.03   0.03    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    15   1     0.18   0.12  -0.40    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1     0.02   0.12   0.13    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   1     0.86   0.02   0.11    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    22   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    25   6    -0.00  -0.00  -0.00    -0.09  -0.03  -0.02     0.00   0.00   0.00
    26   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   1     0.00  -0.00  -0.00     0.01  -0.03  -0.00     0.01  -0.02  -0.00
    29   1     0.00   0.00   0.00     0.93   0.16   0.15    -0.00  -0.00  -0.00
    30   1     0.00   0.00   0.00     0.02   0.06   0.18    -0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00     0.06   0.12  -0.14    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3172.0586              3178.0321              3180.5109
 Red. masses --      1.0884                 1.0890                 1.0944
 Frc consts  --      6.4527                 6.4802                 6.5228
 IR Inten    --      2.8355                13.9795                 8.3039
 RamAct Fr= 1--     38.1271                58.8509               191.7331
  Dep-P Fr= 1--      0.6270                 0.5850                 0.1662
  Dep-U Fr= 1--      0.7707                 0.7381                 0.2851
 Alpha2 Fr= 1--      0.0854                 0.1816                 2.8437
 Beta2  Fr= 1--      4.8976                 7.2401                 9.1097
 AlphaG Fr= 1--      0.0324                 0.0771                 0.0003
 Gamma2 Fr= 1--      0.1407                 3.1170                -2.4649
 Delta2 Fr= 1--     -1.0270                 1.9623                -3.6362
 Raman1 Fr= 1--     152.508                235.404                766.932
 ROA1   Fr= 1--     -19.351                362.026               -352.988
 CID1   Fr= 1--      -0.127                  1.538                 -0.460
 Raman2 Fr= 1--      58.771                 86.881                109.317
 ROA2   Fr= 1--      11.594                 59.109                -30.067
 CID2   Fr= 1--       0.197                  0.680                 -0.275
 Raman3 Fr= 1--     117.542                173.762                218.633
 ROA3   Fr= 1--     -19.351                362.026               -352.988
 CID3   Fr= 1--      -0.165                  2.083                 -1.615
 RC180  Fr= 1--       0.541                  0.476                 -0.430
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6    -0.01   0.02   0.00     0.03  -0.07  -0.01    -0.01   0.02   0.00
     4   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.04  -0.04  -0.01
     6   6    -0.00   0.00   0.00     0.01  -0.02  -0.00     0.03  -0.06  -0.01
     7   6     0.03  -0.07  -0.01     0.01  -0.02  -0.00    -0.00   0.00   0.00
     8   1     0.10  -0.26  -0.03    -0.34   0.84   0.10     0.10  -0.25  -0.03
     9   1    -0.01  -0.01  -0.00     0.12   0.16   0.04     0.38   0.48   0.13
    10   1     0.00  -0.01  -0.00    -0.07   0.17   0.02    -0.28   0.66   0.09
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.01   0.01
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    16   1    -0.00  -0.01  -0.01     0.01   0.04   0.04    -0.00  -0.01  -0.01
    17   1    -0.01  -0.00  -0.00     0.02   0.00   0.00    -0.00  -0.00   0.00
    18   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    21   6     0.01   0.02   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    22   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    24   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.35   0.84   0.11    -0.09   0.23   0.03     0.02  -0.05  -0.01
    27   1    -0.18  -0.22  -0.06    -0.06  -0.08  -0.02     0.02   0.02   0.01
    28   1    -0.01   0.02   0.00    -0.00   0.00   0.00     0.02  -0.05  -0.01
    29   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3200.0248              3206.0308              3680.6668
 Red. masses --      1.0937                 1.0893                 1.0651
 Frc consts  --      6.5988                 6.5969                 8.5016
 IR Inten    --      4.9722                 8.5404               203.7447
 RamAct Fr= 1--    208.4562                85.1506               252.2285
  Dep-P Fr= 1--      0.2205                 0.2665                 0.2654
  Dep-U Fr= 1--      0.3614                 0.4208                 0.4195
 Alpha2 Fr= 1--      2.6793                 0.9633                 2.8621
 Beta2  Fr= 1--     12.5552                 5.9719                17.6332
 AlphaG Fr= 1--      0.3574                -0.1475                 5.2754
 Gamma2 Fr= 1--      2.9397                -1.4838                55.5194
 Delta2 Fr= 1--      1.1328                 0.1339                 4.8285
 Raman1 Fr= 1--     833.825                340.602               1008.914
 ROA1   Fr= 1--     318.459               -138.162               5484.378
 CID1   Fr= 1--       0.382                 -0.406                  5.436
 Raman2 Fr= 1--     150.662                 71.662                211.598
 ROA2   Fr= 1--      61.490                -36.683               1293.838
 CID2   Fr= 1--       0.408                 -0.512                  6.115
 Raman3 Fr= 1--     301.324                143.325                423.196
 ROA3   Fr= 1--     318.459               -138.162               5484.378
 CID3   Fr= 1--       1.057                 -0.964                 12.959
 RC180  Fr= 1--      -0.277                 -0.158                 -0.161
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     7   6     0.01  -0.02  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     8   1    -0.01   0.02   0.00     0.00  -0.01  -0.00     0.00   0.00   0.00
     9   1    -0.00  -0.00  -0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
    10   1     0.00  -0.00  -0.00    -0.02   0.05   0.01     0.00  -0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.06  -0.02   0.01
    20   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.95   0.25  -0.18
    21   6    -0.05  -0.06  -0.02    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   6     0.00   0.00   0.00     0.03  -0.08  -0.01     0.00   0.00   0.00
    24   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    25   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.12   0.28   0.03     0.01  -0.02  -0.00    -0.00   0.00   0.00
    27   1     0.58   0.72   0.20     0.01   0.01   0.00     0.00   0.00   0.00
    28   1     0.00  -0.01  -0.00    -0.37   0.91   0.12     0.00  -0.00  -0.00
    29   1    -0.00  -0.00  -0.00     0.02   0.01   0.00     0.00   0.00   0.00
    30   1    -0.00   0.00   0.00     0.00   0.01   0.02    -0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.01   0.01  -0.02    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1309.984398649.942099137.78575
           X            0.99985  -0.01540   0.00853
           Y            0.01536   0.99987   0.00518
           Z           -0.00860  -0.00505   0.99995
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06612     0.01001     0.00948
 Rotational constants (GHZ):           1.37768     0.20864     0.19750
 Zero-point vibrational energy     658875.7 (Joules/Mol)
                                  157.47507 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     32.48    57.59    62.47   134.72   186.70
          (Kelvin)            200.96   267.20   288.93   318.38   350.30
                              373.84   407.74   470.71   512.51   561.64
                              594.33   622.74   700.35   709.02   758.95
                              772.49   824.00   861.01   899.87   933.66
                              988.48  1028.11  1080.36  1109.38  1130.73
                             1173.24  1192.11  1205.02  1246.82  1271.32
                             1327.29  1365.89  1387.93  1397.39  1411.77
                             1458.65  1527.51  1552.19  1570.09  1654.46
                             1689.27  1700.00  1713.51  1721.26  1724.41
                             1758.50  1801.16  1866.99  1873.33  1877.69
                             1910.74  1931.44  1993.76  2024.87  2032.58
                             2053.41  2092.13  2124.80  2148.77  2155.23
                             2166.89  2173.06  2194.70  2222.11  2326.47
                             2378.73  2406.40  2638.74  4332.73  4382.48
                             4409.13  4414.27  4474.20  4499.65  4518.28
                             4551.06  4563.88  4572.48  4576.05  4604.12
                             4612.76  5295.66
 
 Zero-point correction=                           0.250952 (Hartree/Particle)
 Thermal correction to Energy=                    0.266094
 Thermal correction to Enthalpy=                  0.267038
 Thermal correction to Gibbs Free Energy=         0.207305
 Sum of electronic and zero-point Energies=           -767.721412
 Sum of electronic and thermal Energies=              -767.706270
 Sum of electronic and thermal Enthalpies=            -767.705326
 Sum of electronic and thermal Free Energies=         -767.765059
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.976             58.474            125.719
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.004
 Vibrational            165.199             52.512             50.513
 Vibration     1          0.593              1.985              6.394
 Vibration     2          0.594              1.981              5.258
 Vibration     3          0.595              1.980              5.097
 Vibration     4          0.603              1.954              3.583
 Vibration     5          0.612              1.924              2.950
 Vibration     6          0.615              1.914              2.808
 Vibration     7          0.632              1.859              2.270
 Vibration     8          0.638              1.839              2.126
 Vibration     9          0.648              1.809              1.949
 Vibration    10          0.659              1.774              1.777
 Vibration    11          0.668              1.746              1.663
 Vibration    12          0.682              1.704              1.513
 Vibration    13          0.711              1.621              1.274
 Vibration    14          0.732              1.562              1.139
 Vibration    15          0.758              1.491              0.999
 Vibration    16          0.777              1.442              0.916
 Vibration    17          0.794              1.399              0.849
 Vibration    18          0.843              1.279              0.692
 Vibration    19          0.848              1.266              0.676
 Vibration    20          0.882              1.189              0.593
 Vibration    21          0.892              1.168              0.572
 Vibration    22          0.929              1.090              0.499
 Vibration    23          0.956              1.035              0.452
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.442994D-95        -95.353602       -219.559783
 Total V=0       0.119242D+21         20.076429         46.227685
 Vib (Bot)       0.886501-110       -110.052321       -253.404833
 Vib (Bot)    1  0.917503D+01          0.962608          2.216486
 Vib (Bot)    2  0.516911D+01          0.713416          1.642701
 Vib (Bot)    3  0.476370D+01          0.677944          1.561024
 Vib (Bot)    4  0.219433D+01          0.341303          0.785879
 Vib (Bot)    5  0.157113D+01          0.196213          0.451797
 Vib (Bot)    6  0.145595D+01          0.163146          0.375657
 Vib (Bot)    7  0.107934D+01          0.033160          0.076354
 Vib (Bot)    8  0.992602D+00         -0.003225         -0.007426
 Vib (Bot)    9  0.893387D+00         -0.048960         -0.112735
 Vib (Bot)   10  0.804081D+00         -0.094700         -0.218056
 Vib (Bot)   11  0.747583D+00         -0.126340         -0.290910
 Vib (Bot)   12  0.677198D+00         -0.169284         -0.389792
 Vib (Bot)   13  0.572107D+00         -0.242523         -0.558429
 Vib (Bot)   14  0.515841D+00         -0.287484         -0.661957
 Vib (Bot)   15  0.459794D+00         -0.337436         -0.776976
 Vib (Bot)   16  0.427307D+00         -0.369260         -0.850253
 Vib (Bot)   17  0.401675D+00         -0.396125         -0.912111
 Vib (Bot)   18  0.341585D+00         -0.466501         -1.074158
 Vib (Bot)   19  0.335639D+00         -0.474128         -1.091719
 Vib (Bot)   20  0.303890D+00         -0.517284         -1.191089
 Vib (Bot)   21  0.295952D+00         -0.528778         -1.217557
 Vib (Bot)   22  0.268013D+00         -0.571844         -1.316720
 Vib (Bot)   23  0.249920D+00         -0.602199         -1.386615
 Vib (V=0)       0.238622D+06          5.377710         12.382635
 Vib (V=0)    1  0.968864D+01          0.986263          2.270955
 Vib (V=0)    2  0.569324D+01          0.755360          1.739280
 Vib (V=0)    3  0.528987D+01          0.723445          1.665793
 Vib (V=0)    4  0.275058D+01          0.439424          1.011811
 Vib (V=0)    5  0.214877D+01          0.332191          0.764898
 Vib (V=0)    6  0.203941D+01          0.309505          0.712661
 Vib (V=0)    7  0.168953D+01          0.227766          0.524451
 Vib (V=0)    8  0.161142D+01          0.207209          0.477117
 Vib (V=0)    9  0.152379D+01          0.182924          0.421199
 Vib (V=0)   10  0.144686D+01          0.160427          0.369396
 Vib (V=0)   11  0.139938D+01          0.145935          0.336028
 Vib (V=0)   12  0.134178D+01          0.127682          0.293999
 Vib (V=0)   13  0.125981D+01          0.100304          0.230958
 Vib (V=0)   14  0.121840D+01          0.085788          0.197535
 Vib (V=0)   15  0.117927D+01          0.071614          0.164898
 Vib (V=0)   16  0.115772D+01          0.063602          0.146450
 Vib (V=0)   17  0.114136D+01          0.057423          0.132221
 Vib (V=0)   18  0.110554D+01          0.043575          0.100335
 Vib (V=0)   19  0.110221D+01          0.042263          0.097315
 Vib (V=0)   20  0.108511D+01          0.035472          0.081678
 Vib (V=0)   21  0.108102D+01          0.033835          0.077908
 Vib (V=0)   22  0.106730D+01          0.028287          0.065134
 Vib (V=0)   23  0.105898D+01          0.024888          0.057307
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.364255D+07          6.561406         15.108195
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3          333333333333 3                              111111111111111111111111111111111                                        
     6          221111111000 0                              866655554444444333332221111110000999998888877776665555444433322222111    
     8          008776421664 1                              3751421099752108420095299987597618764286321875184297329831952864208439442
     1          601823070846 1                              4337450683747376285282296124019241159347895611579583773733067303116004303
 
     X          XXXXXXXXXXXX X                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                       X                              XXX  X X    X    X  XX         X                  X                      
     X                                                      X X         X    X  XX                                                   
     X                                                      X X              X  XX                                                   
     X                                                      X X              X   X                                                   
     X                                                      X                X   X                                                   
     X                                                      X                X                                                       
     X                                                      X                X                                                       
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000002867   -0.000006315   -0.000001209
      2        6          -0.000006112   -0.000001457   -0.000000489
      3        6           0.000005874    0.000006898    0.000001326
      4        6          -0.000000732    0.000001262   -0.000005608
      5        6          -0.000006101    0.000002031    0.000001535
      6        6           0.000003535    0.000004410   -0.000000001
      7        6           0.000006092    0.000001068    0.000000378
      8        1          -0.000003108   -0.000002557    0.000002096
      9        1           0.000001599   -0.000000717   -0.000001173
     10        1          -0.000001642   -0.000000940    0.000000655
     11        6           0.000008422   -0.000026061    0.000009020
     12        6          -0.000004952    0.000002803    0.000007718
     13        6          -0.000041618    0.000012249   -0.000038722
     14        1           0.000003857    0.000003827   -0.000005627
     15        1           0.000000182    0.000001531   -0.000002109
     16        1           0.000002765   -0.000000756    0.000000678
     17        1           0.000000837   -0.000002417   -0.000001283
     18        8           0.000018754    0.000002386    0.000002603
     19        8           0.000012064   -0.000000743    0.000031929
     20        1           0.000006529    0.000002776   -0.000004250
     21        6          -0.000005283    0.000004156    0.000000104
     22        6          -0.000000507   -0.000003531   -0.000000955
     23        6          -0.000000324    0.000000544    0.000000174
     24        8          -0.000004159    0.000006236    0.000002577
     25        6           0.000012160   -0.000012231   -0.000001075
     26        1          -0.000001735   -0.000000332   -0.000000029
     27        1          -0.000000255   -0.000001144   -0.000000213
     28        1          -0.000003633    0.000002337    0.000000139
     29        1           0.000000205    0.000000261    0.000000440
     30        1          -0.000000161    0.000001824    0.000001717
     31        1           0.000000315    0.000002602   -0.000000345
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000041618 RMS     0.000008548
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.308454D+03  0.909802D+01  0.161332D+02
      2   0.909802D+01  0.175250D+03  0.895681D+01
      3   0.161332D+02  0.895681D+01  0.118823D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.200230D+01 -0.301234D+02 -0.123785D+01
      2   0.694374D+02  0.210437D+02 -0.185021D+02
      3   0.454793D+02 -0.571712D+02 -0.173824D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.288198D+03 -0.561334D+02  0.700313D+02
      2  -0.120172D+03  0.571258D+02 -0.205320D+02
      3  -0.168026D+03 -0.992438D+00 -0.494994D+02
      4  -0.541619D+02  0.125283D+03  0.517074D+02
      5   0.353852D+01  0.549755D+02 -0.450708D+02
      6   0.210418D+02 -0.529491D+02 -0.265910D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.378618D+02 -0.351080D+01 -0.302422D+01  0.414636D+02  0.850461D+01
      2  -0.351080D+01 -0.121730D+01 -0.899360D+00  0.850461D+01  0.901544D+01
      3  -0.302422D+01 -0.899360D+00  0.314790D-01  0.561863D+01  0.230217D+01
                 6             7             8             9            10 
      1   0.561863D+01  0.391705D+01  0.123716D+01 -0.379217D+00  0.421038D+02
      2   0.230217D+01  0.123716D+01  0.108365D+01  0.139754D+01  0.490359D+01
      3   0.593132D+00 -0.379217D+00  0.139754D+01  0.498516D+00  0.368394D+01
                11            12            13            14            15 
      1   0.490359D+01  0.368394D+01 -0.412231D+02 -0.764850D+01 -0.564521D+01
      2   0.437867D+01  0.101607D+01 -0.764850D+01 -0.770651D+01 -0.238603D+01
      3   0.101607D+01  0.223441D+00 -0.564521D+01 -0.238603D+01 -0.594119D+00
                16            17            18            19            20 
      1  -0.203632D+01 -0.833055D+00  0.802235D+00  0.427866D+02  0.556146D+01
      2  -0.833055D+00 -0.478099D+00 -0.119604D+01  0.556146D+01  0.417108D+01
      3   0.802235D+00 -0.119604D+01 -0.410765D+00  0.304761D+01  0.872458D+00
                21            22            23            24            25 
      1   0.304761D+01  0.251904D+02  0.257613D+01  0.629683D+00  0.107792D+02
      2   0.872458D+00  0.257613D+01  0.439804D+01  0.199416D+00  0.223509D+00
      3   0.461044D+00  0.629683D+00  0.199416D+00  0.227614D+01 -0.117481D+01
                26            27            28            29            30 
      1   0.223509D+00 -0.117481D+01 -0.562680D+02 -0.529075D+01 -0.705493D+00
      2   0.646222D-01  0.352104D+01 -0.529075D+01 -0.314946D+01 -0.342066D+00
      3   0.352104D+01  0.103952D+01 -0.705493D+00 -0.342066D+00 -0.211567D+01
                31            32            33            34            35 
      1  -0.118417D+02 -0.962885D+00  0.608418D+00 -0.634019D+01  0.394272D+00
      2  -0.962885D+00 -0.838634D+01 -0.217193D+01  0.394272D+00 -0.223325D+01
      3   0.608418D+00 -0.217193D+01 -0.739941D+00 -0.629646D+01 -0.124280D+01
                36            37            38            39            40 
      1  -0.629646D+01 -0.450308D+01 -0.302338D+00 -0.466994D+00 -0.110708D+02
      2  -0.124280D+01 -0.302338D+00 -0.929203D+01 -0.164422D+01 -0.191445D+01
      3  -0.174656D+01 -0.466994D+00 -0.164422D+01 -0.191441D+01  0.543883D+00
                41            42            43            44            45 
      1  -0.191445D+01  0.543883D+00 -0.202228D+01  0.111818D+01 -0.425869D+01
      2   0.270580D+01  0.134011D+01  0.111818D+01  0.249897D-01 -0.258663D+01
      3   0.134011D+01 -0.624126D+00 -0.425869D+01 -0.258663D+01 -0.302606D+01
                46            47            48            49            50 
      1   0.814248D+01  0.170979D+01  0.177179D+01 -0.210670D+01 -0.177083D+01
      2   0.170979D+01  0.649154D+01  0.236032D+01 -0.177083D+01 -0.215393D+00
      3   0.177179D+01  0.236032D+01  0.223963D+01 -0.453603D+00  0.837428D+00
                51            52            53            54            55 
      1  -0.453603D+00  0.416449D+00  0.284712D+00  0.150097D+01 -0.115510D+02
      2   0.837428D+00  0.284712D+00  0.234787D+01 -0.346288D+01 -0.421773D+01
      3  -0.100758D+01  0.150097D+01 -0.346288D+01 -0.126172D+01 -0.204290D+01
                56            57            58            59            60 
      1  -0.421773D+01 -0.204290D+01 -0.443028D+00  0.101393D+01 -0.628390D-01
      2  -0.950504D+01 -0.207815D+01  0.101393D+01 -0.377752D+00 -0.854252D+00
      3  -0.207815D+01 -0.208366D+01 -0.628390D-01 -0.854252D+00  0.108374D+01
                61            62            63            64            65 
      1  -0.136788D+01 -0.571318D+00 -0.155480D+01 -0.182514D+01  0.232517D+01
      2  -0.571318D+00 -0.271193D+01  0.341919D+01  0.232517D+01 -0.135758D+01
      3  -0.155480D+01  0.341919D+01  0.771171D+00 -0.107904D+00  0.156844D+00
                66            67            68            69            70 
      1  -0.107904D+00  0.323687D+01 -0.316628D+01 -0.856292D-01 -0.424844D+00
      2   0.156844D+00 -0.316628D+01  0.609487D+01  0.255907D+00 -0.129925D+00
      3  -0.110886D+00 -0.856292D-01  0.255907D+00  0.660328D+00  0.104641D+00
                71            72            73            74            75 
      1  -0.129925D+00  0.104641D+00 -0.509743D+01 -0.311837D+01 -0.119353D+01
      2   0.766822D+00  0.157889D+00 -0.311837D+01 -0.314290D+01 -0.931403D+00
      3   0.157889D+00  0.436464D-01 -0.119353D+01 -0.931403D+00 -0.707043D+00
                76            77            78            79            80 
      1  -0.363305D+01 -0.430144D+01 -0.128111D+01 -0.147328D+01 -0.122805D+01
      2  -0.430144D+01 -0.624614D+01 -0.161634D+01 -0.122805D+01 -0.137321D+01
      3  -0.128111D+01 -0.161634D+01 -0.116514D+01  0.375098D-01 -0.675391D+00
                81            82            83            84            85 
      1   0.375098D-01  0.126571D+01 -0.183259D+01 -0.234465D+00 -0.924425D+00
      2  -0.675391D+00 -0.183259D+01  0.282907D+01  0.346406D+00  0.206082D+01
      3  -0.317480D+00 -0.234465D+00  0.346406D+00  0.276473D+00  0.422412D+00
                86            87            88            89            90 
      1   0.206082D+01  0.422412D+00 -0.138028D+00  0.104400D+00 -0.100190D-01
      2  -0.975449D+01 -0.151331D+01  0.104400D+00 -0.144265D+01 -0.484323D+00
      3  -0.151331D+01 -0.106977D+01 -0.100190D-01 -0.484323D+00 -0.256824D+00
                91            92            93            94            95 
      1   0.274962D+02  0.383293D+01 -0.192930D+01  0.324032D+01  0.282904D+01
      2   0.383293D+01  0.186282D+01 -0.751922D+00  0.282904D+01 -0.105009D+01
      3  -0.192930D+01 -0.751922D+00  0.303908D+01 -0.158992D+00  0.315449D+01
                96            97            98            99           100 
      1  -0.158992D+00 -0.101600D+02 -0.172144D+01  0.622521D+01  0.707858D+01
      2   0.315449D+01 -0.172144D+01  0.173220D+01  0.234311D+01 -0.731743D+00
      3   0.117314D+01  0.622521D+01  0.234311D+01 -0.151727D+00  0.185913D+01
               101           102           103           104           105 
      1  -0.731743D+00  0.185913D+01  0.325438D+01 -0.242436D+01  0.113402D+01
      2  -0.220065D+01  0.139269D+01 -0.242436D+01  0.127899D+01 -0.295754D+01
      3   0.139269D+01 -0.338457D+01  0.113402D+01 -0.295754D+01 -0.172462D+01
               106           107           108           109           110 
      1   0.249035D+01  0.125135D+01 -0.199347D+01  0.412601D+01  0.218194D+01
      2   0.125135D+01 -0.193469D+01 -0.321921D+01  0.218194D+01  0.962709D+00
      3  -0.199347D+01 -0.321921D+01  0.298543D+01 -0.322693D+00 -0.480980D+00
               111           112           113           114           115 
      1  -0.322693D+00  0.204531D+01 -0.743260D+00  0.285012D+00  0.175596D+02
      2  -0.480980D+00 -0.743260D+00  0.180146D+00 -0.225892D+00  0.199093D+01
      3  -0.808650D+00  0.285012D+00 -0.225892D+00 -0.521917D+00 -0.642075D+01
               116           117           118           119           120 
      1   0.199093D+01 -0.642075D+01 -0.320547D+01 -0.167253D+01 -0.152518D+01
      2   0.762162D+00 -0.770633D+00 -0.167253D+01 -0.985644D+00 -0.433689D+00
      3  -0.770633D+00  0.947757D-01 -0.152518D+01 -0.433689D+00 -0.156552D+01
               121           122           123           124           125 
      1  -0.616877D+01 -0.195261D+01 -0.121708D+01 -0.230361D+01 -0.526034D+00
      2  -0.195261D+01 -0.261805D+01 -0.210070D+01 -0.526034D+00 -0.199995D+01
      3  -0.121708D+01 -0.210070D+01 -0.203294D+01 -0.259652D+01 -0.186958D+01
               126           127           128           129           130 
      1  -0.259652D+01  0.869867D+00  0.254064D+00 -0.111904D+01 -0.558974D+00
      2  -0.186958D+01  0.254064D+00  0.121491D+01 -0.115361D+01  0.199473D+00
      3  -0.381747D+01 -0.111904D+01 -0.115361D+01  0.247636D+01 -0.118666D+00
               131           132           133           134           135 
      1   0.199473D+00 -0.118666D+00 -0.166536D+01  0.338029D+00  0.144905D+00
      2   0.145056D+01 -0.126178D+01  0.338029D+00 -0.205002D+01  0.289190D+01
      3  -0.126178D+01  0.176109D+01  0.144905D+00  0.289190D+01 -0.708502D+01
               136           137           138           139           140 
      1  -0.846245D-01  0.399244D+00  0.450925D+00  0.125237D+01 -0.635743D+00
      2   0.399244D+00  0.654254D+00 -0.921264D-01 -0.635743D+00  0.417904D+01
      3   0.450925D+00 -0.921264D-01  0.609671D+00 -0.881663D-01  0.157134D+01
               141           142           143           144           145 
      1  -0.881663D-01  0.148720D+01 -0.945174D+00  0.117008D+00 -0.133056D+02
      2   0.157134D+01 -0.945174D+00  0.288879D+01  0.167790D+01  0.258005D+01
      3   0.171556D+01  0.117008D+00  0.167790D+01  0.196744D+01 -0.234979D+01
               146           147           148           149           150 
      1   0.258005D+01 -0.234979D+01  0.852469D+00 -0.100027D+01 -0.895737D-01
      2  -0.154108D+01  0.608398D+00 -0.100027D+01  0.165385D+00  0.541817D-01
      3   0.608398D+00 -0.147299D+01 -0.895737D-01  0.541817D-01  0.102809D-01
               151           152           153           154           155 
      1  -0.149061D+01  0.120988D+00 -0.136775D+01 -0.190214D+02 -0.380541D+01
      2   0.120988D+00  0.792234D-01  0.538072D+00 -0.380541D+01 -0.273604D+01
      3  -0.136775D+01  0.538072D+00 -0.986480D+00  0.125708D+01  0.877357D+00
               156           157           158           159           160 
      1   0.125708D+01 -0.515111D+01 -0.472906D+01  0.220898D+00  0.194396D+01
      2   0.877357D+00 -0.472906D+01 -0.299477D+01  0.508163D+00  0.549684D+00
      3  -0.304997D+01  0.220898D+00  0.508163D+00 -0.640953D+00 -0.265924D+01
               161           162           163           164           165 
      1   0.549684D+00 -0.265924D+01 -0.165724D+02 -0.201225D+01  0.540459D+01
      2  -0.154479D+00 -0.848928D+00 -0.201225D+01  0.146769D+00  0.173666D-01
      3  -0.848928D+00  0.384292D+00  0.540459D+01  0.173666D-01 -0.134007D+01
               166           167           168           169           170 
      1  -0.451538D+01 -0.948134D-01  0.902673D+00 -0.479852D+00 -0.745358D+00
      2  -0.948134D-01  0.192125D+00  0.130657D+01 -0.745358D+00  0.466422D+00
      3   0.902673D+00  0.130657D+01 -0.314431D+00 -0.114347D+00 -0.340993D+00
               171           172           173           174           175 
      1  -0.114347D+00  0.126355D+02  0.107826D+01 -0.310630D+01  0.316693D+01
      2  -0.340993D+00  0.107826D+01  0.186582D+00 -0.172075D+00 -0.320209D-01
      3   0.684584D+01 -0.310630D+01 -0.172075D+00  0.336778D+01 -0.966930D+00
               176           177           178           179           180 
      1  -0.320209D-01 -0.966930D+00 -0.779002D+01 -0.570893D+00  0.280196D+01
      2   0.138564D+00  0.633393D+00 -0.570893D+00  0.957137D+00  0.362728D+00
      3   0.633393D+00  0.983885D+00  0.280196D+01  0.362728D+00  0.126474D+00
               181           182           183           184           185 
      1   0.118089D+02  0.187555D+01  0.932173D+00  0.787145D+01  0.527855D+00
      2   0.187555D+01  0.106481D+02  0.949147D+00  0.527855D+00 -0.394803D+01
      3   0.932173D+00  0.949147D+00  0.175739D+01 -0.633318D-01 -0.111674D+01
               186           187           188           189           190 
      1  -0.633318D-01  0.151909D+01 -0.957474D+00  0.487646D+01  0.333762D+02
      2  -0.111674D+01 -0.957474D+00 -0.570054D+00  0.306134D+01  0.242320D+01
      3   0.728118D+00  0.487646D+01  0.306134D+01  0.260190D+01  0.262880D+01
               191           192           193           194           195 
      1   0.242320D+01  0.262880D+01  0.177539D+02  0.989261D+00  0.476502D+00
      2   0.599816D+01  0.760084D+00  0.989261D+00  0.124358D+02  0.143493D+01
      3   0.760084D+00  0.292760D+01  0.476502D+00  0.143493D+01  0.630462D+00
               196           197           198           199           200 
      1   0.557194D+01 -0.869303D+00  0.705371D+01 -0.393731D+02 -0.532509D+01
      2  -0.869303D+00  0.261608D+01  0.114338D+01 -0.532509D+01 -0.734851D+01
      3   0.705371D+01  0.114338D+01  0.211970D+01 -0.420461D+01 -0.965309D+00
               201           202           203           204           205 
      1  -0.420461D+01 -0.206731D+02 -0.440956D+00 -0.192302D+01 -0.864293D+01
      2  -0.965309D+00 -0.440956D+00 -0.563209D+01  0.160545D+00 -0.305280D+00
      3  -0.320621D+00 -0.192302D+01  0.160545D+00 -0.219414D+01 -0.456023D+00
               206           207           208           209           210 
      1  -0.305280D+00 -0.456023D+00 -0.350018D+01  0.927433D+00 -0.561256D+00
      2  -0.585200D+00 -0.369763D+01  0.927433D+00 -0.235961D+01 -0.488283D+00
      3  -0.369763D+01 -0.169458D+01 -0.561256D+00 -0.488283D+00 -0.154986D+00
               211           212           213           214           215 
      1  -0.375754D+00  0.208420D+01  0.525012D+00 -0.615431D+00  0.334567D+00
      2   0.208420D+01  0.172726D+01  0.666589D+00  0.334567D+00 -0.168015D+00
      3   0.525012D+00  0.666589D+00 -0.924368D+00  0.500784D+00  0.532235D+00
               216           217           218           219           220 
      1   0.500784D+00 -0.117534D+01 -0.206249D+01 -0.584535D+00 -0.204459D+01
      2   0.532235D+00 -0.206249D+01  0.312741D+01 -0.473085D+00 -0.840256D+00
      3   0.124024D+00 -0.584535D+00 -0.473085D+00  0.147261D+01 -0.981520D+00
               221           222           223           224           225 
      1  -0.840256D+00 -0.981520D+00 -0.138203D+00 -0.680099D+00 -0.177520D+01
      2  -0.366634D+00 -0.189966D+01 -0.680099D+00 -0.115178D+01  0.367116D+01
      3  -0.189966D+01  0.521855D+01 -0.177520D+01  0.367116D+01  0.237153D+01
               226           227           228           229           230 
      1  -0.904199D+00  0.152811D+01  0.151503D+00  0.440321D+00 -0.140808D+01
      2   0.152811D+01 -0.292532D+01 -0.291536D+00 -0.140808D+01  0.982050D+01
      3   0.151503D+00 -0.291536D+00 -0.262904D+00 -0.301329D+00  0.123908D+01
               231           232           233           234           235 
      1  -0.301329D+00 -0.502473D-01 -0.146574D+00  0.142162D+00  0.601582D+01
      2   0.123908D+01 -0.146574D+00  0.129478D+01  0.464196D+00  0.420867D+01
      3   0.970436D+00  0.142162D+00  0.464196D+00  0.273753D+00  0.136763D+01
               236           237           238           239           240 
      1   0.420867D+01  0.136763D+01  0.489015D+01  0.517458D+01  0.137815D+01
      2   0.388096D+01  0.100531D+01  0.517458D+01  0.676880D+01  0.155180D+01
      3   0.100531D+01  0.857157D+00  0.137815D+01  0.155180D+01  0.119509D+01
               241           242           243           244           245 
      1   0.171041D+01  0.144469D+01  0.161263D+00  0.226814D+01 -0.236593D+01
      2   0.144469D+01  0.157165D+01  0.700462D+00 -0.236593D+01  0.148007D+01
      3   0.161263D+00  0.700462D+00  0.358776D+00 -0.193859D+00 -0.116071D-01
               246           247           248           249           250 
      1  -0.193859D+00 -0.370568D+01  0.332671D+01  0.291513D+00 -0.419546D+00
      2  -0.116071D-01  0.332671D+01 -0.600614D+01 -0.658394D+00  0.298006D+00
      3   0.105807D+00  0.291513D+00 -0.658394D+00 -0.645294D+00  0.504917D-01
               251           252           253           254           255 
      1   0.298006D+00  0.504917D-01  0.160248D+02 -0.432062D+00  0.146330D+01
      2  -0.911256D+00 -0.705272D-01 -0.432062D+00  0.905373D+00 -0.370160D-01
      3  -0.705272D-01 -0.903693D-01  0.146330D+01 -0.370160D-01  0.124071D+01
               256           257           258           259           260 
      1   0.209386D+01  0.112772D+01  0.177847D+00  0.198909D+01 -0.787267D-01
      2   0.112772D+01  0.397550D+00  0.283293D+00 -0.787267D-01  0.316469D+00
      3   0.177847D+00  0.283293D+00  0.443873D-02  0.173800D+01 -0.349350D+00
               261           262           263           264           265 
      1   0.173800D+01 -0.251451D+00  0.340219D+00 -0.817597D+00 -0.772678D+00
      2  -0.349350D+00  0.340219D+00 -0.237367D+00  0.219028D+00  0.154265D+01
      3   0.370570D+00 -0.817597D+00  0.219028D+00 -0.539579D+00  0.120459D+01
               266           267           268           269           270 
      1   0.154265D+01  0.120459D+01 -0.473430D+01  0.219002D+01  0.305850D+01
      2  -0.169930D+01 -0.143823D+01  0.219002D+01 -0.181826D+01 -0.228205D+01
      3  -0.143823D+01 -0.206181D+01  0.305850D+01 -0.228205D+01 -0.579161D+01
               271           272           273           274           275 
      1  -0.149823D+01  0.550409D+00  0.471188D+00 -0.154350D+01  0.210884D+01
      2   0.550409D+00 -0.939967D+00  0.664961D+00  0.210884D+01 -0.394712D+01
      3   0.471188D+00  0.664961D+00 -0.125470D+01 -0.982242D+00  0.270140D+01
               276           277           278           279 
      1  -0.982242D+00  0.290863D+01 -0.157178D+01  0.174148D+01
      2   0.270140D+01 -0.157178D+01  0.260996D+01 -0.278519D+01
      3  -0.274325D+01  0.174148D+01 -0.278519D+01  0.365930D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.356200D+01 -0.354552D+01 -0.138031D+00 -0.749362D+01 -0.648398D+01
      2  -0.109735D+02 -0.420929D+01 -0.792998D+00  0.110828D+02  0.123033D+00
      3  -0.269034D+02  0.235006D+02  0.131518D+01  0.402595D+02  0.188671D+02
                 6             7             8             9            10 
      1  -0.174015D+01  0.347405D+01  0.610368D+01  0.122197D+01 -0.170800D+01
      2  -0.202911D+00 -0.185044D+02 -0.331687D+01 -0.269093D+01  0.221280D+02
      3   0.613570D+01  0.257245D+01  0.737674D+01  0.105252D+00  0.373224D+01
                11            12            13            14            15 
      1  -0.567371D+01 -0.984626D+00 -0.574106D+01 -0.209169D+01 -0.130844D+00
      2  -0.656786D+00 -0.323551D+01 -0.182637D+02 -0.543555D+01 -0.292890D+01
      3   0.259611D+02  0.346019D+01  0.497112D+02  0.250443D+02  0.933611D+01
                16            17            18            19            20 
      1   0.380660D+01  0.715062D+01  0.192185D+01 -0.450791D+01  0.121272D+01
      2  -0.227641D+02 -0.323038D+01 -0.306108D+01  0.189443D+02  0.707804D+01
      3   0.685555D+01  0.835598D+01  0.234099D+01  0.297716D+02 -0.205640D+02
                21            22            23            24            25 
      1  -0.309244D+00 -0.849719D+00 -0.340790D+01 -0.274818D+01  0.804459D+01
      2   0.725651D+00  0.167041D+02  0.279760D+01 -0.117844D+01 -0.143662D+02
      3   0.304549D-01  0.108224D+02  0.229206D+01  0.502946D+00 -0.133664D+01
                26            27            28            29            30 
      1   0.248988D+01 -0.241671D+01 -0.936710D+00 -0.156580D+01 -0.236496D+00
      2  -0.679181D+01 -0.326838D+01 -0.339345D+02 -0.534765D+01  0.682371D+00
      3  -0.436304D+01  0.149258D+01 -0.627054D+01  0.933359D+01  0.127405D+01
                31            32            33            34            35 
      1  -0.694987D+01  0.280472D+01  0.322197D+01 -0.189941D+01  0.150668D+02
      2  -0.786864D+01  0.146123D+01  0.617234D+00 -0.165250D+02 -0.104338D+01
      3   0.251850D+02 -0.453003D+01 -0.464166D+01  0.233386D+01  0.394379D+00
                36            37            38            39            40 
      1   0.388279D+01 -0.130419D+01  0.534288D+01 -0.245931D+01  0.452751D+01
      2  -0.508497D+00 -0.232383D-01  0.219926D+00  0.140864D+01 -0.617051D+01
      3  -0.198595D+01  0.217632D+02 -0.468862D+01 -0.124916D+01  0.101054D+01
                41            42            43            44            45 
      1  -0.382489D+01 -0.227836D+01 -0.160125D+02  0.475538D+01 -0.112229D+01
      2  -0.491888D+01  0.101485D+01 -0.116682D+02  0.728221D+01 -0.911142D+00
      3   0.100721D+02  0.407663D+01 -0.309026D+00  0.243054D+01  0.603777D+01
                46            47            48            49            50 
      1   0.261072D+01 -0.808309D+00  0.341663D+01  0.128263D+01  0.409197D+01
      2   0.626508D+01  0.268247D+01  0.241277D+01  0.276543D+01  0.281052D+01
      3  -0.364168D+02 -0.233826D+02 -0.520724D+01 -0.119731D+02 -0.221086D+02
                51            52            53            54            55 
      1  -0.240344D+01  0.110884D+02 -0.277949D+01  0.319209D+01  0.249746D+01
      2   0.113277D+01 -0.170820D+02  0.413265D+00  0.272175D+00  0.539200D+01
      3  -0.448846D+01 -0.897378D+01 -0.576628D+01 -0.743491D+01 -0.251627D+02
                56            57            58            59            60 
      1   0.424808D+01  0.515432D+01 -0.138599D+01  0.393089D+01 -0.192460D+01
      2   0.241145D+00 -0.342803D+01  0.481417D+01  0.274694D+01  0.337518D+01
      3  -0.128442D+02 -0.301968D+01 -0.175072D+01 -0.218958D+02 -0.991325D+00
                61            62            63            64            65 
      1   0.988768D+01 -0.232098D+01  0.127719D+01 -0.188909D+00 -0.740268D+00
      2  -0.218810D+02  0.492555D+01  0.459341D+00  0.697267D+00  0.144304D+00
      3  -0.464019D+01 -0.276669D+01 -0.135440D+02 -0.229686D+01  0.184602D+01
                66            67            68            69            70 
      1   0.876675D+00  0.348393D+00 -0.148039D+01 -0.338541D+01  0.582378D-01
      2   0.145761D-01  0.638027D+00 -0.102224D+01 -0.151245D+01 -0.235559D+01
      3  -0.133315D+00  0.572823D+01  0.361696D+01  0.844286D+00 -0.390759D-01
                71            72            73            74            75 
      1   0.171355D+01  0.160766D+00  0.320986D+00  0.126306D+01 -0.197016D+01
      2   0.972547D+00 -0.505062D-02 -0.352158D+01 -0.131320D+01  0.103558D+01
      3   0.866956D+00 -0.710106D+00  0.747139D+01  0.183862D+00  0.743084D+00
                76            77            78            79            80 
      1   0.129621D+01  0.264575D+01 -0.269219D+01  0.315924D+01  0.198542D+01
      2  -0.177486D+01 -0.129853D+01  0.191993D+01 -0.280830D+01 -0.380727D+00
      3   0.175169D+01 -0.235201D+01  0.905699D-02  0.154298D+01 -0.295033D+00
                81            82            83            84            85 
      1   0.168878D+00  0.135592D+01 -0.176791D+01  0.136041D+01 -0.550757D+00
      2   0.755230D+00  0.138537D+01 -0.129092D+01  0.775781D+00 -0.114037D+01
      3  -0.104845D+01 -0.589002D+01  0.292026D+01  0.216036D+00  0.520700D+01
                86            87            88            89            90 
      1   0.399294D+01 -0.367427D+01 -0.133192D+01  0.246417D+01 -0.405656D+00
      2   0.192360D+01 -0.925279D+00 -0.336248D+00 -0.684564D+00 -0.391396D+00
      3  -0.374908D+01 -0.106554D+01 -0.301474D+00 -0.877279D+00  0.840123D+00
                91            92            93            94            95 
      1  -0.547973D+00 -0.135610D+01  0.475820D+00  0.224464D+01  0.276130D+00
      2   0.255218D+02  0.457559D+01 -0.948484D+01  0.320493D+01 -0.750404D+01
      3   0.552854D+01 -0.214994D+01 -0.140687D+01  0.185970D+02 -0.631629D+01
                96            97            98            99           100 
      1  -0.321729D+01  0.563980D-01  0.363426D+01 -0.398649D+01 -0.157057D+01
      2  -0.372782D+01 -0.432709D+02 -0.928797D+01  0.411914D+01  0.184880D+01
      3   0.124672D+02 -0.217856D+01  0.118470D+02  0.881316D+01  0.146005D+02
               101           102           103           104           105 
      1   0.295499D+01  0.245640D+01  0.554346D+00  0.347693D+01  0.595834D+01
      2  -0.524324D+01  0.163858D+02 -0.156640D+01  0.788345D+01  0.803102D+01
      3  -0.164069D+02  0.862810D+01 -0.961246D+01 -0.942767D+00 -0.124502D+02
               106           107           108           109           110 
      1  -0.116078D+01  0.102634D+02  0.135365D+00  0.693903D+01  0.193486D+01
      2   0.741879D+01  0.130895D+02 -0.127362D+02 -0.218590D+02 -0.387451D+01
      3   0.668475D+01 -0.795685D+01 -0.172691D+02 -0.199760D+01  0.153552D+02
               111           112           113           114           115 
      1   0.547362D+01  0.134681D+02  0.545776D+01 -0.158026D+02  0.385806D+01
      2   0.157538D+01 -0.950618D+00 -0.801999D+00 -0.412566D+01  0.266237D+02
      3   0.701543D+00  0.127101D+02  0.115307D+02 -0.247806D+01  0.537528D+01
               116           117           118           119           120 
      1  -0.371821D+01 -0.256860D+01  0.554938D+00  0.117387D+01  0.291449D+00
      2   0.658183D+00 -0.459183D+00  0.386003D+01  0.632100D+00  0.558818D+01
      3  -0.472109D+01 -0.274679D+01 -0.758564D+01 -0.560983D+01 -0.176557D+01
               121           122           123           124           125 
      1   0.735399D-01  0.221576D+01  0.421558D+00 -0.308115D-01  0.276306D+01
      2  -0.838268D+00  0.536931D+01  0.649549D+01  0.596496D+01  0.562350D+01
      3  -0.291187D+01 -0.898685D+01 -0.739684D+01 -0.162830D+01 -0.848369D+01
               126           127           128           129           130 
      1   0.861739D+00  0.803706D+00 -0.150297D+01 -0.212706D+01 -0.141151D+00
      2   0.102740D+02  0.731868D+01  0.368897D+01 -0.918488D+01  0.316970D+00
      3  -0.729598D+01  0.362367D+01  0.556387D+01 -0.642116D+01  0.312071D+01
               131           132           133           134           135 
      1  -0.391332D+00 -0.233244D+01 -0.144420D+01  0.119108D+01  0.617306D+01
      2   0.474335D+01 -0.661212D+01 -0.542827D+01 -0.967502D+01  0.248609D+02
      3   0.600583D+01 -0.563276D+01 -0.280022D+01 -0.743793D+01  0.132392D+02
               136           137           138           139           140 
      1  -0.170682D+01 -0.837978D+00 -0.145586D+01  0.107297D+00 -0.747510D+01
      2  -0.261179D+01  0.841202D+00 -0.165047D+01  0.870718D+00 -0.636790D+01
      3   0.460519D+01  0.366240D+01  0.123821D+01  0.236034D+01  0.171883D+02
               141           142           143           144           145 
      1  -0.707649D+01  0.147972D+00 -0.500668D+01 -0.713133D+01  0.488454D+00
      2  -0.634952D+01 -0.127945D+01 -0.655430D+01 -0.719246D+01 -0.679136D+01
      3   0.724554D+01  0.119841D+01  0.115755D+02  0.875723D+01 -0.865504D+01
               146           147           148           149           150 
      1   0.164432D+01  0.172190D+01  0.110850D+01 -0.201921D+00 -0.115183D+01
      2   0.990865D-01  0.568184D+01  0.832379D+00 -0.178014D+01 -0.967509D-01
      3  -0.609302D+01 -0.465506D+00 -0.164818D+01 -0.377148D+00  0.140653D+01
               151           152           153           154           155 
      1   0.133927D+01 -0.384912D+00  0.317045D+00 -0.509948D+01 -0.159276D+01
      2   0.285679D+01 -0.166464D+01  0.243424D+01  0.100532D+02  0.156923D+00
      3  -0.166959D+01  0.105125D+01  0.485010D+00 -0.617088D+01 -0.258489D+02
               156           157           158           159           160 
      1  -0.567863D+01 -0.958805D+01 -0.347233D+01  0.763901D-01 -0.304830D+01
      2   0.228289D+02 -0.272791D+01  0.117635D+01  0.635072D+01  0.709637D+01
      3   0.137312D+01 -0.170994D+02 -0.157154D+02  0.161464D+01  0.213212D+00
               161           162           163           164           165 
      1   0.256171D+01  0.429194D+00 -0.715795D+01 -0.284732D+01  0.753761D+00
      2   0.385873D+01 -0.174253D+01  0.931194D+01  0.382967D+01  0.199734D+01
      3   0.255738D+01 -0.207086D+01 -0.647051D+01 -0.310767D+01  0.101625D+00
               166           167           168           169           170 
      1  -0.617566D+01 -0.552139D+00  0.471838D+01  0.197386D+01  0.761091D+01
      2   0.393959D+01 -0.537635D+01  0.163490D+01 -0.113982D+02  0.644727D+00
      3   0.672616D+00 -0.453136D-01  0.595862D+01 -0.232913D+01  0.263940D+01
               171           172           173           174           175 
      1   0.300487D+01  0.782156D+01  0.253538D+01 -0.170725D+01  0.707163D+01
      2  -0.223207D+02 -0.212704D+02 -0.269792D+01 -0.635166D+01 -0.488758D+01
      3  -0.396067D+00  0.373399D+01  0.173929D+01 -0.119692D+01  0.541292D+01
               176           177           178           179           180 
      1   0.805997D+00 -0.295438D+01 -0.164526D+01 -0.125332D+01  0.608494D+00
      2  -0.260665D+01 -0.184382D+01 -0.142020D+01  0.263711D+00 -0.183684D+01
      3   0.153219D+00  0.560718D+00 -0.216420D+01 -0.757473D+00  0.703239D+00
               181           182           183           184           185 
      1  -0.813425D+00 -0.193005D+01 -0.468337D+01  0.413047D+01 -0.305381D+01
      2  -0.130392D+01  0.138337D+01  0.563920D+01  0.343596D+01 -0.810297D+01
      3   0.239452D+02 -0.115352D+02  0.817745D+00 -0.719982D+01  0.274222D+02
               186           187           188           189           190 
      1  -0.178748D+01 -0.162781D+02  0.558502D+01 -0.291747D+01 -0.150414D+01
      2   0.719105D+00 -0.468574D-01  0.105670D+02  0.433353D+01  0.101226D+02
      3   0.411435D+01 -0.651155D+00  0.603178D+01  0.302242D+01  0.768352D+01
               191           192           193           194           195 
      1  -0.624155D+01 -0.184206D+01 -0.822131D+01 -0.462596D+01  0.215450D+01
      2  -0.283452D+01 -0.103745D+01 -0.298277D+01  0.536436D+01  0.104584D+01
      3   0.204927D+02  0.423872D+01  0.563028D+02 -0.205326D+02  0.299141D+01
               196           197           198           199           200 
      1   0.183312D+01  0.131468D+02  0.309610D+01  0.494423D+00  0.418791D+01
      2   0.118118D+01  0.269807D+01  0.311399D+01 -0.149144D+02  0.109459D+01
      3   0.116973D+02  0.153139D+01 -0.543022D+00  0.150289D+01 -0.182265D+02
               201           202           203           204           205 
      1   0.730992D+00  0.146654D+01  0.201365D+01 -0.253252D+01  0.324510D+01
      2   0.293861D+01 -0.106104D+01  0.257676D+01 -0.344239D+01 -0.218503D+02
      3  -0.295071D+01 -0.132354D+02 -0.430282D+00 -0.385852D+01 -0.606770D+01
               206           207           208           209           210 
      1   0.376309D+01  0.905454D+00  0.165336D+01  0.588756D+01  0.173344D+01
      2  -0.135128D+02 -0.594896D+01  0.160867D+01  0.479304D+01  0.120928D+02
      3  -0.577029D+01  0.522643D+01 -0.139746D+02 -0.393783D+02 -0.623561D+01
               211           212           213           214           215 
      1   0.957886D+00  0.152773D+01 -0.605226D+01 -0.278876D+01 -0.207423D+00
      2   0.156069D+01  0.213093D+01 -0.681537D+01 -0.452447D+01  0.543813D+01
      3  -0.202224D+01 -0.601749D+01 -0.271875D+01 -0.334417D+01 -0.497780D+01
               216           217           218           219           220 
      1  -0.137344D+01 -0.256568D+01 -0.141441D+01  0.150260D+01  0.102595D+01
      2   0.981159D+00 -0.713526D+01 -0.344219D+01  0.762364D+01 -0.368623D+01
      3  -0.294059D+01  0.357967D+02 -0.106156D+02  0.785930D+01  0.267522D+01
               221           222           223           224           225 
      1  -0.499391D+00  0.758696D+01 -0.127764D+02  0.952497D+01  0.450525D+01
      2  -0.675343D+01  0.309640D+02 -0.862221D+01  0.210074D+02  0.149315D+02
      3  -0.208281D+02  0.852971D+01  0.604121D+01  0.570642D+01 -0.267877D+02
               226           227           228           229           230 
      1   0.455086D+00 -0.560755D+00  0.161558D+01  0.367941D+00  0.626851D-01
      2   0.106055D+01 -0.101427D+01  0.215016D+00 -0.113289D+01  0.332441D+01
      3  -0.803267D+01  0.772065D+01  0.508787D+00  0.629958D+01 -0.207088D+02
               231           232           233           234           235 
      1  -0.440982D+01 -0.920039D+00  0.185937D+01 -0.547327D+00 -0.135293D+01
      2   0.656691D+00  0.357183D+00  0.529389D+00  0.124043D+00  0.188485D+01
      3  -0.321110D+01  0.135838D-01 -0.254144D+01  0.877039D-01  0.244953D+00
               236           237           238           239           240 
      1  -0.129694D+00 -0.253962D+01 -0.834449D+00  0.112283D+00 -0.344709D+01
      2   0.175705D+01  0.345953D+01  0.271741D+01  0.324264D+01  0.469971D+01
      3  -0.593720D+01 -0.535444D+00 -0.635972D+01 -0.139692D+02 -0.248291D+01
               241           242           243           244           245 
      1   0.239378D+01  0.811435D+00 -0.351442D+00  0.535471D+00 -0.517080D+00
      2  -0.184835D+01  0.201554D+01  0.145849D+01  0.655348D+00 -0.627541D+00
      3  -0.930957D+00 -0.255366D+01 -0.225311D+01  0.860631D+00 -0.220880D+01
               246           247           248           249           250 
      1   0.809889D+00 -0.594880D+00  0.385375D+00 -0.290707D+01  0.156989D+00
      2   0.427913D+00 -0.586754D+00 -0.137585D+01 -0.232697D+01 -0.138514D+01
      3  -0.124344D+00 -0.121164D+01  0.146325D+02  0.201054D+01 -0.294162D+00
               251           252           253           254           255 
      1   0.133860D+01 -0.130080D+00  0.148314D+01  0.611971D+00  0.121486D+01
      2   0.979608D+00 -0.170031D+00  0.551460D+01  0.752680D-01  0.933025D+01
      3   0.278426D+01 -0.785197D-01 -0.130910D+02 -0.846423D+01 -0.159698D+01
               256           257           258           259           260 
      1   0.206187D+00  0.473682D+00 -0.700864D+00  0.200294D+01 -0.312281D-02
      2   0.533126D+00  0.133611D+01  0.883449D-01  0.791277D+01 -0.176293D+01
      3  -0.621270D+01 -0.336552D+01 -0.177658D+01 -0.144554D+01 -0.232639D+01
               261           262           263           264           265 
      1   0.107593D+00 -0.448616D+00  0.456710D-01 -0.112097D+01  0.841554D+00
      2   0.183165D+01 -0.638854D+01  0.117603D+01 -0.244018D+01  0.599959D+01
      3   0.129945D+01 -0.794350D+00  0.310448D+01  0.293325D+00 -0.564010D+01
               266           267           268           269           270 
      1  -0.205118D+01 -0.394033D+01  0.489588D+01 -0.140796D+01 -0.955093D+01
      2  -0.822485D+01 -0.120769D+02  0.111461D+02 -0.133107D+02 -0.327060D+02
      3   0.133225D+02  0.933598D+01 -0.799752D+01  0.131012D+02  0.166162D+02
               271           272           273           274           275 
      1  -0.162937D+00 -0.110856D-01 -0.233567D+01 -0.619062D+00  0.858386D+00
      2   0.522044D+01  0.256263D+01 -0.582219D+01 -0.377732D+01  0.125588D+02
      3   0.297052D+00  0.804854D+01 -0.496844D+01 -0.672231D+01  0.272704D+02
               276           277           278           279 
      1  -0.425972D+01  0.246566D+01 -0.107194D+01  0.500956D+01
      2  -0.145805D+02  0.458022D+01 -0.142979D+02  0.179352D+02
      3  -0.158825D+02  0.457277D+01 -0.166552D+02  0.180384D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.695242D+02 -0.250577D+02 -0.102642D+02  0.787694D+02  0.133578D+01
      2   0.345994D+02  0.141444D+02  0.701623D+01 -0.355965D+02  0.937417D+01
      3   0.349248D+02  0.109133D+02  0.324799D+01 -0.431729D+02 -0.107100D+02
      4   0.660362D+00  0.130325D+02  0.314734D+01  0.111956D+02  0.212602D+02
      5  -0.100063D+02  0.906362D+00 -0.234093D+01  0.124984D+01  0.199091D+01
      6  -0.212069D+01  0.329436D+01  0.389596D+00 -0.151844D+01 -0.335331D+00
                 6             7             8             9            10 
      1   0.104589D+02  0.418867D+01 -0.849226D+00 -0.861642D+01  0.925868D+02
      2  -0.206035D+01  0.915512D+00  0.306923D+01 -0.927828D+00 -0.376775D+02
      3  -0.839860D+01 -0.510418D+01 -0.222001D+01  0.954425D+01 -0.549093D+02
      4   0.513498D+01  0.210285D+01  0.425029D+01  0.253875D+01 -0.224132D+02
      5  -0.204311D+01 -0.819489D+00  0.117390D+01 -0.344907D+01  0.730731D+01
      6  -0.119123D+00 -0.300848D+01  0.371938D+01 -0.268798D+01  0.340635D+00
                11            12            13            14            15 
      1  -0.110089D+02  0.910372D+01 -0.763962D+02 -0.249244D+02 -0.110104D+02
      2   0.857969D+01 -0.204744D+01  0.278539D+02  0.149593D+02  0.678221D+01
      3   0.242917D+01 -0.705629D+01  0.485423D+02  0.996515D+01  0.422824D+01
      4   0.112394D+02  0.205193D+01 -0.267322D+02 -0.195076D+02 -0.494756D+01
      5   0.373492D+01 -0.801060D+01 -0.360616D+01 -0.110189D+01  0.307877D+00
      6   0.290650D+00  0.129433D+00 -0.253689D+01  0.412223D+01 -0.269038D+00
                16            17            18            19            20 
      1  -0.189071D+01 -0.465425D+01 -0.603385D+01  0.389918D+02  0.334898D+02
      2   0.254412D+01  0.288080D+01 -0.264279D+01 -0.173334D+02 -0.217282D+02
      3  -0.653411D+00  0.177344D+01  0.867664D+01 -0.216585D+02 -0.117616D+02
      4  -0.785790D+01 -0.194327D+01 -0.404389D+01  0.518203D+01 -0.178821D+02
      5   0.242422D+01 -0.184487D+01 -0.375206D+01  0.975545D+01  0.188468D+01
      6  -0.254375D+01  0.391977D+01 -0.135993D+01  0.345962D+01 -0.787484D+01
                21            22            23            24            25 
      1   0.147894D+02 -0.120161D+02  0.204093D+02  0.110730D+02  0.376373D+01
      2  -0.818351D+01  0.219661D+02 -0.226499D+02 -0.677940D+01  0.520984D+01
      3  -0.660593D+01 -0.995002D+01  0.224058D+01 -0.429362D+01 -0.897357D+01
      4  -0.102797D+01  0.877511D+01 -0.154387D+01  0.217806D+01  0.785839D+01
      5  -0.691477D+00  0.680569D+01  0.318089D+01 -0.564711D+01  0.106912D+02
      6  -0.147114D+01  0.740525D+01 -0.100073D+02  0.422466D+01  0.936236D+00
                26            27            28            29            30 
      1   0.176325D+02 -0.468419D+01  0.291543D+02  0.795663D+01 -0.991540D+01
      2  -0.109769D+02 -0.438784D+01 -0.357441D+02 -0.377705D+01  0.449505D+01
      3  -0.665555D+01  0.907203D+01  0.658984D+01 -0.417957D+01  0.542034D+01
      4   0.989042D+00 -0.463676D+01  0.153247D+02  0.124462D+02  0.156943D+01
      5  -0.750677D+01 -0.524063D+01 -0.109459D+02  0.192699D+01  0.794225D+01
      6   0.834109D+01 -0.406126D+01 -0.776568D+01  0.342877D+01  0.143495D+01
                31            32            33            34            35 
      1  -0.251426D+02 -0.519063D+02 -0.124364D+02 -0.173760D+02 -0.116676D+02
      2   0.152046D+02  0.416920D+02  0.131964D+02  0.452433D+00  0.882652D+01
      3   0.993802D+01  0.102144D+02 -0.759921D+00  0.169236D+02  0.284106D+01
      4  -0.323660D+02  0.155679D+02  0.433143D+01 -0.111222D+02  0.510145D+01
      5  -0.147296D+02  0.933662D-01  0.434897D-01  0.229816D+02  0.443930D+01
      6  -0.376847D+01  0.141800D+02  0.266551D+00 -0.160429D+01  0.676203D+01
                36            37            38            39            40 
      1  -0.777684D+01 -0.121469D+02 -0.609152D+02 -0.125402D+02  0.291907D+02
      2  -0.700658D+01  0.547874D+01  0.423637D+02  0.499271D+01 -0.269616D+02
      3   0.147834D+02  0.666816D+01  0.185515D+02  0.754744D+01 -0.222915D+01
      4   0.178246D+01 -0.259253D+02 -0.271310D+01 -0.511963D+01  0.206254D+02
      5   0.249608D+01 -0.354054D+00 -0.801302D+01  0.591616D+00 -0.472402D+00
      6  -0.206900D+01 -0.540235D+01  0.789856D+01  0.742652D+01 -0.720750D+01
                41            42            43            44            45 
      1   0.290240D+02  0.640788D+01 -0.102175D+01 -0.652065D+01 -0.178866D+02
      2  -0.255142D+02 -0.736631D+01 -0.124228D+02 -0.374301D+01 -0.529327D+00
      3  -0.350978D+01  0.958434D+00  0.134445D+02  0.102637D+02  0.184159D+02
      4  -0.212945D+02 -0.670168D+01 -0.103130D+02 -0.776571D+01  0.482147D+01
      5  -0.472187D+01  0.511034D+01  0.122431D+02  0.490523D+01  0.630419D+01
      6  -0.121431D+02 -0.674656D+00  0.149070D+02  0.106753D+02  0.816615D+01
                46            47            48            49            50 
      1   0.143964D+02  0.485634D+02  0.143075D+02 -0.206648D+02  0.581287D+01
      2  -0.100150D+02 -0.299331D+02 -0.474568D+01  0.169000D+02 -0.119031D+02
      3  -0.438134D+01 -0.186303D+02 -0.956182D+01  0.376484D+01  0.609028D+01
      4   0.265148D+02 -0.103627D+02  0.479505D+00  0.149189D+02  0.128800D+02
      5  -0.609504D+01 -0.400635D+00  0.159308D+01 -0.144308D+01  0.253743D+01
      6   0.114689D+01 -0.108204D+02 -0.861789D+01  0.535958D+01 -0.744507D+01
                51            52            53            54            55 
      1   0.265379D+01  0.811607D+00  0.992317D+01 -0.197931D+02 -0.188418D+02
      2  -0.531076D+01  0.279908D+01 -0.173908D+02  0.733674D+01  0.240106D+01
      3   0.265697D+01 -0.361069D+01  0.746767D+01  0.124563D+02  0.164408D+02
      4   0.442560D+01  0.614734D+01 -0.789488D+00 -0.365213D+01 -0.150206D+02
      5   0.145575D+00  0.380887D+01 -0.166640D+01 -0.492401D+01  0.354704D+01
      6   0.480490D+01 -0.418198D+01  0.167947D+02  0.484344D+01  0.143794D+01
                56            57            58            59            60 
      1   0.306620D+02  0.669440D+01 -0.543345D+01  0.148617D+02  0.643677D+01
      2  -0.266490D+02 -0.356318D+01  0.789473D+01 -0.174423D+02 -0.639834D+01
      3  -0.401296D+01 -0.313122D+01 -0.246128D+01  0.258060D+01 -0.384302D-01
      4  -0.513555D+02 -0.915993D+01  0.122299D+02  0.100208D+02 -0.260938D+00
      5  -0.534284D+01 -0.636336D+01  0.474917D+01 -0.454750D+00  0.428672D+01
      6  -0.624334D+01 -0.830866D+01  0.402235D+01 -0.755842D+01  0.544800D+01
                61            62            63            64            65 
      1  -0.428955D+00  0.100435D+02 -0.257025D+02  0.257339D+01  0.180449D+00
      2   0.122292D+01 -0.153946D+02  0.119552D+02  0.174365D+01 -0.236657D+01
      3  -0.793962D+00  0.535102D+01  0.137473D+02 -0.431705D+01  0.218612D+01
      4  -0.209608D+00 -0.110772D+02  0.654882D+01 -0.103344D+02  0.100200D+02
      5  -0.130314D+01  0.114732D+02 -0.642496D+00  0.281639D+01 -0.984841D+00
      6  -0.452317D+01  0.208063D+02  0.148765D+01 -0.170966D+01  0.148703D+01
                66            67            68            69            70 
      1   0.100680D+01  0.388639D+01 -0.195388D+02 -0.103785D+01  0.337379D+01
      2  -0.524245D+00 -0.865459D+01  0.265153D+02  0.916674D+00 -0.274540D+01
      3  -0.482559D+00  0.476820D+01 -0.697656D+01  0.121178D+00 -0.628395D+00
      4  -0.221768D+00  0.139359D+02 -0.193295D+02 -0.703683D+00  0.714083D+00
      5   0.100906D+01 -0.649823D+00 -0.622514D+00 -0.228650D+01  0.187800D+00
      6  -0.862050D+00  0.164303D+01 -0.208645D+01  0.434244D+01 -0.191908D+01
                71            72            73            74            75 
      1  -0.330662D+01 -0.260578D+01  0.874518D+00 -0.513387D+01 -0.204234D+01
      2   0.330984D+01  0.296658D+01  0.537114D+01  0.104106D+02  0.167171D+01
      3  -0.322063D-02 -0.360800D+00 -0.624565D+01 -0.527671D+01  0.370633D+00
      4  -0.223456D+01 -0.111262D+01  0.220997D+02  0.206928D+02  0.572309D+01
      5  -0.138507D+00 -0.155334D+00  0.846883D+01  0.601876D+01  0.504887D+01
      6   0.186357D+01  0.106614D+01  0.763057D+01  0.761562D+01  0.465841D+01
                76            77            78            79            80 
      1  -0.985979D+01 -0.209768D+02 -0.662724D+01 -0.748557D+00 -0.429758D+01
      2   0.162792D+02  0.298173D+02  0.574494D+01  0.388334D+01  0.511823D+01
      3  -0.641946D+01 -0.884052D+01  0.882302D+00 -0.313478D+01 -0.820651D+00
      4   0.235652D+02  0.294518D+02  0.713680D+01  0.713587D+01  0.690686D+01
      5   0.672247D+01  0.742290D+01  0.504215D+01  0.220122D+01  0.362247D+01
      6   0.102795D+02  0.146042D+02  0.887411D+01  0.163498D+01  0.558383D+01
                81            82            83            84            85 
      1  -0.207218D+01 -0.529846D+01  0.971598D+01  0.105269D+01  0.825406D+01
      2   0.242228D+01  0.812761D+01 -0.142522D+02 -0.114379D+01 -0.104697D+02
      3  -0.350098D+00 -0.282915D+01  0.453618D+01  0.910956D-01  0.221561D+01
      4   0.446247D+01 -0.748376D+01  0.150170D+02  0.217797D+01  0.922179D+01
      5   0.235413D+01 -0.254979D+01  0.374036D+01  0.267688D+01  0.245860D+01
      6   0.340309D+01  0.260970D+01 -0.358434D+01 -0.256450D+01 -0.356997D+01
                86            87            88            89            90 
      1  -0.453135D+02 -0.789872D+01  0.877112D+00 -0.654882D+01 -0.276661D+01
      2   0.590351D+02  0.737264D+01 -0.146161D+01  0.737912D+01  0.284519D+01
      3  -0.137216D+02  0.526081D+00  0.584502D+00 -0.830305D+00 -0.785874D-01
      4  -0.206992D+02 -0.322122D+01  0.165890D+01 -0.118712D+01 -0.233436D+01
      5  -0.648141D+01 -0.266870D+01  0.147924D+01 -0.260765D+01 -0.762666D+00
      6   0.158356D+02  0.916374D+01 -0.301231D+00  0.597095D+01  0.252945D+01
                91            92            93            94            95 
      1  -0.415665D+02 -0.180885D+02  0.126280D+02 -0.103038D+02 -0.283271D+01
      2   0.343357D+02  0.154876D+02 -0.665424D+01  0.115942D+02  0.302132D+01
      3   0.723077D+01  0.260090D+01 -0.597377D+01 -0.129042D+01 -0.188605D+00
      4  -0.218311D+02 -0.148795D+02  0.278158D+01 -0.251018D+02  0.115348D+02
      5   0.160356D+02  0.228741D+01 -0.230944D+02 -0.211805D+01 -0.261831D+02
      6   0.288184D+01 -0.508468D+01 -0.472448D+00 -0.704907D+01  0.172284D+01
                96            97            98            99           100 
      1  -0.322093D+01  0.360243D+02  0.663774D+01 -0.184035D+02 -0.651939D+02
      2   0.680402D+01 -0.256258D+02  0.148069D+00  0.133771D+02  0.378159D+02
      3  -0.358309D+01 -0.103985D+02 -0.678581D+01  0.502640D+01  0.273781D+02
      4  -0.268905D+02  0.777778D+01 -0.203841D+02 -0.155470D+02  0.210048D+02
      5  -0.673606D+01 -0.430078D+02 -0.160809D+02 -0.317033D+01 -0.303511D+02
      6  -0.950320D+01 -0.913956D+01 -0.323333D+01 -0.745745D+01  0.405698D+01
               101           102           103           104           105 
      1   0.212695D+02 -0.286800D+02 -0.291465D+01  0.102440D+02 -0.279552D+01
      2  -0.150146D+02  0.904669D+01 -0.235388D+01 -0.698942D+01 -0.144479D+02
      3  -0.625484D+01  0.196334D+02  0.526853D+01 -0.325454D+01  0.172435D+02
      4   0.166728D+02 -0.456626D+01  0.211929D+02 -0.139118D+02  0.261396D+02
      5  -0.558060D+01  0.201384D+02 -0.792717D+01  0.263156D+02  0.928209D+01
      6   0.633307D+01 -0.122271D+02  0.907118D+01 -0.108059D+02 -0.413677D+01
               106           107           108           109           110 
      1  -0.199917D+02 -0.756792D+01  0.356829D+02 -0.960292D+02 -0.188492D+02
      2   0.100919D+02 -0.109929D+02 -0.165508D+02  0.360767D+02  0.518204D+00
      3   0.989977D+01  0.185609D+02 -0.191321D+02  0.599526D+02  0.183310D+02
      4  -0.638908D+01  0.164759D+02  0.162805D+02 -0.359310D+02 -0.276175D+02
      5   0.118416D+02  0.200938D+02 -0.124353D+02  0.168231D+02  0.827341D+01
      6  -0.600372D+01 -0.970613D+01  0.150483D+02  0.186411D+01  0.216040D+01
               111           112           113           114           115 
      1   0.105607D+02 -0.207076D+02 -0.103384D+02  0.427034D+01 -0.543311D+02
      2  -0.217205D+01  0.445014D+01  0.558348D+01 -0.974357D+00  0.403212D+02
      3  -0.838869D+01  0.162575D+02  0.475488D+01 -0.329598D+01  0.140099D+02
      4   0.631777D+01  0.646681D+01 -0.132618D+02  0.283152D+01 -0.859711D+01
      5  -0.105876D+02  0.517791D+01  0.380249D+01 -0.220611D+01  0.415646D+02
      6  -0.284354D+01  0.479130D+01  0.609277D+00  0.325301D+01  0.123454D+02
               116           117           118           119           120 
      1  -0.557129D+01  0.317606D+02  0.120855D+02  0.811761D+01  0.575377D+01
      2   0.593398D+01 -0.106851D+02 -0.960243D+01 -0.589317D+01 -0.529436D+01
      3  -0.362698D+00 -0.210755D+02 -0.248305D+01 -0.222444D+01 -0.459407D+00
      4   0.873990D+00  0.804802D+01  0.151504D+02  0.119829D+02  0.501446D+01
      5   0.791473D+01 -0.246292D+01  0.151400D+02  0.588335D+01  0.163307D+02
      6  -0.124696D+01  0.810191D+00  0.573932D+01  0.293664D+01  0.331694D+01
               121           122           123           124           125 
      1   0.174756D+02  0.737238D+00 -0.500864D+00  0.741759D+01 -0.128472D+01
      2  -0.116610D+02 -0.721813D+00 -0.263090D+01 -0.836249D+01 -0.360707D+01
      3  -0.581456D+01 -0.154256D-01  0.313176D+01  0.944908D+00  0.489179D+01
      4   0.164992D+02  0.194250D+02  0.163665D+02  0.682733D+01  0.161056D+02
      5   0.124092D+02  0.165649D+02  0.155355D+02  0.236781D+02  0.141805D+02
      6   0.511902D+01  0.970871D+01  0.101752D+02  0.581831D+01  0.866315D+01
               126           127           128           129           130 
      1  -0.531743D+00 -0.553514D+01 -0.103976D+02  0.202228D+02 -0.947973D+00
      2  -0.102389D+02  0.207843D+00  0.609627D+01 -0.473086D+01  0.154265D+00
      3   0.107706D+02  0.532729D+01  0.430132D+01 -0.154919D+02  0.793708D+00
      4   0.143605D+02  0.330301D+00 -0.645198D+01  0.281332D+01  0.912393D+00
      5   0.293758D+02  0.457996D+01  0.479115D+01 -0.947255D+01 -0.872527D+00
      6   0.996890D+01 -0.353712D+01 -0.642622D+01  0.104430D+02 -0.129861D+01
               131           132           133           134           135 
      1  -0.122055D+02  0.111488D+02  0.118243D+02  0.138771D+02 -0.366872D+02
      2   0.739068D+01 -0.429901D+01 -0.485297D+01 -0.350361D+01 -0.928297D+00
      3   0.481481D+01 -0.684974D+01 -0.697133D+01 -0.103735D+02  0.376155D+02
      4  -0.741229D+01  0.611947D+01 -0.704955D+01  0.124411D+02 -0.152733D+02
      5   0.590830D+01 -0.983442D+01  0.599842D+01 -0.179646D+02  0.406469D+02
      6  -0.908540D+01  0.135335D+02 -0.101590D+00  0.163502D+02 -0.284459D+02
               136           137           138           139           140 
      1   0.253265D+01 -0.763721D+01 -0.107128D+01 -0.652207D+01 -0.133122D+02
      2   0.939826D+00  0.613843D+01  0.206824D+01  0.105550D+01  0.266590D+02
      3  -0.347248D+01  0.149878D+01 -0.996955D+00  0.546657D+01 -0.133468D+02
      4  -0.380058D+01 -0.178269D+01  0.157006D+01  0.919189D+01 -0.292157D+02
      5  -0.194549D+01 -0.378579D-01 -0.338321D+01 -0.245963D+00 -0.124846D+02
      6   0.161713D+01 -0.812304D+00  0.255412D+01 -0.460002D+00  0.382016D+01
               141           142           143           144           145 
      1  -0.425037D+01 -0.595474D+01 -0.403367D+01 -0.887489D+01  0.104826D+03
      2   0.116744D+02  0.146958D+01  0.140051D+02  0.101961D+02 -0.556129D+02
      3  -0.742404D+01  0.448517D+01 -0.997144D+01 -0.132117D+01 -0.492131D+02
      4  -0.112568D+02  0.100366D+02 -0.218999D+02 -0.109195D+02 -0.450600D+02
      5  -0.124085D+02 -0.352294D+00 -0.120498D+02 -0.150848D+02  0.401475D+02
      6   0.767801D+01  0.337588D+00  0.644622D+01  0.716969D+01 -0.913802D+01
               146           147           148           149           150 
      1  -0.158391D+02  0.160012D+02 -0.370614D+01  0.760391D+01  0.147155D+00
      2   0.514023D+01 -0.111720D+02 -0.138631D+01 -0.234150D+01  0.294965D+00
      3   0.106989D+02 -0.482914D+01  0.509244D+01 -0.526241D+01 -0.442120D+00
      4   0.203399D+02 -0.891326D+01  0.127720D+02 -0.461838D+01 -0.663037D-01
      5  -0.820215D+01  0.192034D+02  0.823257D-01  0.140222D+01 -0.156961D+00
      6   0.458481D+01 -0.492570D+01  0.295396D+01 -0.191108D+00  0.192021D+01
               151           152           153           154           155 
      1   0.109416D+02 -0.647013D+00  0.689204D+01  0.196874D+03  0.335707D+02
      2  -0.897530D+01  0.221595D+01 -0.604821D+01 -0.897445D+02 -0.942346D+01
      3  -0.196634D+01 -0.156894D+01 -0.843838D+00 -0.107129D+03 -0.241473D+02
      4  -0.380213D+01  0.626331D-01 -0.577490D+01  0.543259D+02  0.485428D+02
      5   0.180166D+02 -0.485926D+01  0.103498D+02 -0.360583D+02 -0.102633D+02
      6  -0.390744D+01  0.294057D+01 -0.334537D+01 -0.134864D+01 -0.407901D+01
               156           157           158           159           160 
      1  -0.100827D+02  0.307225D+02  0.350378D+02 -0.427892D+00 -0.905082D+01
      2   0.976729D+01 -0.583206D+01 -0.817379D+01  0.688550D+00  0.906855D+01
      3   0.315453D+00 -0.248904D+02 -0.268640D+02 -0.260658D+00 -0.177270D-01
      4  -0.769416D+01  0.556664D+02  0.382091D+02 -0.488926D+01 -0.565770D+01
      5   0.404685D+02 -0.602415D+01 -0.865551D+01  0.918218D+01  0.374129D+02
      6   0.348005D+01 -0.904720D+01 -0.481043D+01  0.616297D+01  0.437759D+01
               161           162           163           164           165 
      1  -0.103796D+01  0.205968D+02  0.680019D+02  0.117593D+02 -0.203697D+02
      2   0.113772D+01 -0.138763D+02 -0.451975D+02 -0.527033D+01  0.131005D+02
      3  -0.997612D-01 -0.672053D+01 -0.228044D+02 -0.648899D+01  0.726921D+01
      4  -0.308955D+01  0.865930D+01  0.197468D+02  0.817267D+01 -0.152341D+01
      5   0.876895D+01 -0.980962D+01 -0.400336D+02 -0.186651D+01  0.213242D+02
      6   0.552793D+01 -0.223446D+01 -0.682318D+01 -0.987794D+00  0.110910D+01
               166           167           168           169           170 
      1   0.186760D+02 -0.887751D+01  0.106730D+01  0.114580D+02  0.442514D+01
      2  -0.109505D+02  0.239016D+01 -0.969021D+00 -0.338240D+01 -0.272005D+01
      3  -0.772548D+01  0.648735D+01 -0.982817D-01 -0.807564D+01 -0.170509D+01
      4   0.633379D+01 -0.132784D+01 -0.948726D+01  0.432922D+01 -0.413672D+01
      5  -0.750830D+01 -0.912829D+01  0.144249D+01  0.100120D+02  0.265322D+00
      6  -0.338443D+01 -0.221247D+01  0.118700D+02 -0.191512D+01  0.979514D+01
               171           172           173           174           175 
      1  -0.356090D+02 -0.564661D+02 -0.538147D+01 -0.233490D+01 -0.141012D+02
      2  -0.102087D+02  0.352641D+02  0.316824D+01 -0.835125D+01  0.100572D+02
      3   0.458177D+02  0.212020D+02  0.221322D+01  0.106862D+02  0.404397D+01
      4  -0.209346D+01 -0.128352D+02 -0.476379D+01  0.121287D+01 -0.193032D+01
      5  -0.384671D+02  0.296216D+02  0.182441D+01 -0.190029D+02  0.692846D+01
      6  -0.209438D+01  0.526179D+01  0.331903D+01 -0.155215D+01  0.171350D+01
               176           177           178           179           180 
      1  -0.472043D+01 -0.292251D+00  0.171275D+02  0.223718D+01 -0.105927D+02
      2   0.270407D+01 -0.265216D+01 -0.159061D+02 -0.194911D+01  0.599998D+01
      3   0.201636D+01  0.294441D+01 -0.122148D+01 -0.288071D+00  0.459272D+01
      4  -0.824133D+00 -0.234533D+01  0.638786D+01  0.941751D+00 -0.209164D+01
      5  -0.191189D+01 -0.529626D+01 -0.156913D+02 -0.120174D+01  0.509404D+01
      6   0.135580D+01  0.239367D+01 -0.234951D+01  0.538393D+00  0.161326D+01
               181           182           183           184           185 
      1   0.335166D+02 -0.477098D+02 -0.569107D+01  0.416989D+02  0.168591D+02
      2  -0.159788D+02  0.393719D+02  0.282392D+01 -0.296001D+02 -0.184598D+02
      3  -0.175378D+02  0.833795D+01  0.286715D+01 -0.120988D+02  0.160064D+01
      4  -0.519026D+01  0.348757D+02 -0.106944D+01  0.640848D+01 -0.281044D+02
      5  -0.747559D+01 -0.290090D+01  0.870507D+01 -0.278171D+01 -0.112505D+02
      6  -0.658324D+01  0.416175D-02  0.701040D+01 -0.730810D+01 -0.905256D+01
               186           187           188           189           190 
      1   0.470142D+01  0.557398D+01 -0.708104D+01  0.188851D+01  0.105536D+03
      2  -0.560021D+01 -0.133936D+02 -0.164445D+01 -0.739851D+01 -0.555868D+02
      3   0.898793D+00  0.781959D+01  0.872548D+01  0.551000D+01 -0.499488D+02
      4  -0.974193D+01 -0.111563D+02 -0.105443D+02  0.209035D+02  0.215722D+01
      5   0.410374D+01  0.303783D+02  0.180522D+02  0.112370D+02 -0.116364D+01
      6   0.130303D+01  0.212534D+02  0.133886D+02  0.592531D+01 -0.227635D+01
               191           192           193           194           195 
      1   0.874843D+01  0.844276D+01  0.622168D+02 -0.383727D+02 -0.507719D+01
      2   0.371841D+01 -0.163766D+01 -0.251156D+02  0.392187D+02  0.960436D+01
      3  -0.124668D+02 -0.680510D+01 -0.371012D+02 -0.846001D+00 -0.452716D+01
      4   0.153719D+02  0.238920D+01 -0.412793D+02  0.537748D+02  0.359021D+01
      5   0.335629D+01  0.129319D+01 -0.105839D+02  0.798137D+01  0.315237D+01
      6   0.263498D+00  0.298559D+01 -0.343395D+01  0.752917D+01 -0.314324D+01
               196           197           198           199           200 
      1   0.119761D+02 -0.113271D+02  0.228642D+02 -0.110519D+03  0.159136D+02
      2  -0.679169D+01  0.105025D+02 -0.197358D+02  0.456919D+02 -0.163668D+02
      3  -0.518441D+01  0.824634D+00 -0.312836D+01  0.648269D+02  0.453277D+00
      4  -0.164105D+02  0.917811D+01  0.270909D+01  0.237413D+02 -0.261525D+02
      5   0.473249D+02  0.880805D+01  0.789639D+01 -0.782536D+01 -0.266621D+01
      6   0.175910D+01  0.509305D+01 -0.286429D+01  0.175315D+01 -0.360850D+01
               201           202           203           204           205 
      1  -0.673234D+01 -0.933559D+02  0.139621D+02 -0.273923D+01 -0.290004D+02
      2   0.219363D+01  0.560106D+02 -0.207983D+02 -0.664857D+00  0.171864D+02
      3   0.453871D+01  0.373453D+02  0.683613D+01  0.340409D+01  0.118140D+02
      4  -0.588620D+00  0.233830D+02 -0.187766D+02  0.384555D+01  0.920543D+01
      5   0.623382D+01 -0.263536D+01  0.202993D+01 -0.889439D+01  0.366793D+01
      6  -0.118901D+01  0.619072D+01 -0.715052D+01  0.590549D+01 -0.230349D+01
               206           207           208           209           210 
      1   0.107251D+02 -0.143355D+02  0.350887D+02  0.675598D+01  0.162855D+01
      2  -0.104982D+02 -0.232300D+01 -0.214614D+02 -0.543606D+01 -0.285324D+01
      3  -0.226930D+00  0.166585D+02 -0.136273D+02 -0.131992D+01  0.122468D+01
      4  -0.174325D+00 -0.172306D+02  0.148409D+02  0.963582D+01 -0.108188D+01
      5  -0.217554D+02 -0.116444D+02  0.822679D+01 -0.175336D+01  0.221314D+02
      6   0.854062D+01 -0.103587D+01  0.368271D+00  0.202318D+01 -0.291174D+01
               211           212           213           214           215 
      1   0.892623D+01  0.606603D+01  0.413004D+01  0.213398D+01 -0.102588D+00
      2  -0.467597D+01 -0.254208D+01 -0.471195D+01 -0.347027D+01 -0.182340D+01
      3  -0.425026D+01 -0.352396D+01  0.581907D+00  0.133630D+01  0.192599D+01
      4   0.334972D+02  0.174052D+02  0.641108D+01  0.424009D+01  0.149997D+01
      5   0.614383D+01  0.438096D+01 -0.131647D+02  0.147719D+02  0.598035D+01
      6   0.959060D+00 -0.148845D+01  0.104828D+02  0.171421D+01  0.379698D+01
               216           217           218           219           220 
      1   0.448080D+01 -0.804312D+02 -0.883876D+01 -0.168606D+02 -0.186560D+02
      2  -0.436977D+01  0.467905D+02  0.131899D+01  0.101514D+02  0.721374D+01
      3  -0.111028D+00  0.336408D+02  0.751977D+01  0.670920D+01  0.114423D+02
      4   0.721008D+01 -0.154802D+02  0.264546D+02 -0.402457D+01 -0.737902D+01
      5   0.444465D+01 -0.163844D+02 -0.428491D+01  0.100990D+02 -0.903449D+01
      6   0.258250D+01  0.690125D+00  0.320949D+01 -0.400819D+01 -0.169098D+00
               221           222           223           224           225 
      1   0.166673D+02 -0.153014D+02 -0.130578D+02 -0.102917D+02  0.117418D+02
      2  -0.982397D+01  0.120531D+02  0.431600D+01  0.886884D+01 -0.962368D+01
      3  -0.684333D+01  0.324837D+01  0.874184D+01  0.142290D+01 -0.211811D+01
      4   0.549995D+01 -0.154078D+02 -0.767668D+01 -0.857316D+01  0.375915D+02
      5  -0.150277D+02  0.597510D+02 -0.174985D+02  0.381891D+02  0.292986D+02
      6   0.767673D+01 -0.222111D+02  0.106912D+02 -0.157556D+02 -0.567370D+01
               226           227           228           229           230 
      1  -0.744328D+01  0.170399D+02  0.162660D+01  0.780317D+01 -0.529092D+02
      2   0.883977D+01 -0.191302D+02 -0.161603D+01 -0.859052D+01  0.668433D+02
      3  -0.139649D+01  0.209028D+01 -0.105677D-01  0.787350D+00 -0.139341D+02
      4  -0.209503D+01  0.526563D+01  0.795485D+00  0.265467D+01  0.128983D+02
      5  -0.788039D+00  0.137613D+01  0.109817D+01  0.242648D+00 -0.701349D+00
      6   0.802958D+00 -0.135748D+01 -0.233931D+01 -0.144623D+01  0.803044D+01
               231           232           233           234           235 
      1  -0.752158D+01  0.155679D+00 -0.688632D+01 -0.221297D+01  0.259076D+02
      2   0.745508D+01 -0.747092D+00  0.805777D+01  0.280184D+01 -0.320491D+01
      3   0.664977D-01  0.591413D+00 -0.117145D+01 -0.588862D+00 -0.227026D+02
      4   0.151784D+01 -0.102926D+00  0.268095D+01 -0.665943D+00  0.452601D+02
      5   0.128343D+01  0.205927D+01 -0.370697D+00  0.201394D+00  0.106148D+02
      6   0.799012D+01  0.297918D+00  0.467059D+01  0.189294D+01  0.649521D+01
               236           237           238           239           240 
      1   0.142121D+02  0.443829D+01  0.115604D+02  0.235011D+01  0.754343D+00
      2   0.352837D+01 -0.940423D+00  0.102033D+02  0.216792D+02  0.291036D+01
      3  -0.177404D+02 -0.349787D+01 -0.217637D+02 -0.240294D+02 -0.366470D+01
      4   0.392014D+02  0.100199D+02  0.466748D+02  0.571575D+02  0.126046D+02
      5   0.771260D+01  0.785981D+01  0.961065D+01  0.964224D+01  0.861404D+01
      6   0.552614D+01  0.475942D+01  0.804882D+01  0.987000D+01  0.778311D+01
               241           242           243           244           245 
      1   0.532125D+01  0.179431D+01 -0.379663D+00  0.127486D+02 -0.107904D+02
      2   0.131009D+01  0.303254D+01  0.185859D+01 -0.395128D+01  0.300786D+01
      3  -0.663134D+01 -0.482685D+01 -0.147893D+01 -0.879731D+01  0.778249D+01
      4   0.134750D+02  0.134081D+02  0.711061D+01 -0.186587D+02  0.150907D+02
      5   0.294423D+01  0.527616D+01  0.376901D+01 -0.207036D+01  0.123842D+01
      6   0.154075D+01  0.516225D+01  0.308215D+01  0.388924D+00 -0.291768D-01
               246           247           248           249           250 
      1  -0.537055D+00 -0.118024D+02 -0.331626D+01 -0.106597D+01 -0.603940D+00
      2   0.120250D+00 -0.763810D+00  0.159397D+02  0.903932D+00 -0.177725D+00
      3   0.416805D+00  0.125662D+02 -0.126234D+02  0.162034D+00  0.781665D+00
      4   0.619603D+00  0.262708D+02 -0.388753D+02 -0.405469D+01  0.252102D+01
      5   0.140712D+01  0.360978D+01 -0.656163D+01 -0.475668D+01  0.100632D+01
      6  -0.650910D+00 -0.154396D+01  0.324512D+01  0.424002D+01 -0.198703D+01
               251           252           253           254           255 
      1  -0.179882D+01 -0.173871D+01  0.204721D+03 -0.319076D+01  0.179916D+02
      2   0.236128D+01  0.215593D+01 -0.107513D+03 -0.168742D+00 -0.104256D+02
      3  -0.562460D+00 -0.417228D+00 -0.972083D+02  0.335950D+01 -0.756601D+01
      4  -0.526801D+01 -0.110161D+01 -0.205507D+02  0.150732D+02 -0.182088D+01
      5  -0.407680D+00 -0.678740D+00  0.203570D+02 -0.381790D+00  0.186021D+02
      6   0.192829D+01  0.119175D+01 -0.327688D+01  0.707650D+00 -0.235379D+01
               256           257           258           259           260 
      1   0.228267D+02  0.149121D+02  0.271893D+01  0.228972D+02  0.472280D+00
      2  -0.142854D+02 -0.756640D+01 -0.212453D+01 -0.134829D+02 -0.924955D+00
      3  -0.854129D+01 -0.734570D+01 -0.594396D+00 -0.941430D+01  0.452675D+00
      4   0.166547D+02  0.384104D+01  0.330676D+01 -0.269155D+01  0.374805D+01
      5   0.179692D+01  0.352788D+01  0.421374D+00  0.248275D+02 -0.346433D+01
      6   0.560380D+00 -0.514609D+00  0.167338D+01 -0.273117D+01  0.251054D+01
               261           262           263           264           265 
      1   0.168544D+02  0.626347D+01 -0.210096D+01 -0.941859D+01 -0.532348D+01
      2  -0.995810D+01 -0.364161D+01  0.176987D+01  0.380402D+01  0.574553D+00
      3  -0.689634D+01 -0.262187D+01  0.331092D+00  0.561457D+01  0.474893D+01
      4  -0.455103D+01  0.686005D+00 -0.203204D+01  0.389716D+01  0.190326D+02
      5   0.520533D+01 -0.904127D+01  0.271707D+01 -0.245019D+01  0.137400D+02
      6  -0.502536D+00  0.255384D+01 -0.587127D+00  0.216948D+01 -0.498976D+01
               266           267           268           269           270 
      1   0.232571D+01  0.358891D+01 -0.356245D+02  0.973078D+01  0.355525D+01
      2   0.247884D+01  0.658767D+00  0.201782D+02 -0.338559D+01 -0.781909D+01
      3  -0.480455D+01 -0.424768D+01  0.154464D+02 -0.634520D+01  0.426384D+01
      4  -0.200341D+02 -0.162561D+02  0.276795D+02 -0.219296D+02 -0.250909D+02
      5  -0.165321D+02 -0.236742D+02  0.362470D+02 -0.254986D+02 -0.635984D+02
      6   0.653268D+01  0.108803D+02 -0.111232D+02  0.109731D+02  0.175757D+02
               271           272           273           274           275 
      1  -0.641064D+01 -0.488515D+01  0.118025D+02 -0.102180D+02 -0.549780D+01
      2   0.294487D+01  0.458147D+01 -0.595148D+01  0.161604D+01  0.132919D+02
      3   0.346577D+01  0.303680D+00 -0.585105D+01  0.860200D+01 -0.779410D+01
      4   0.468284D+01 -0.788421D+01  0.318800D+01  0.251636D+02 -0.410913D+02
      5   0.578007D+01  0.396340D+01 -0.953658D+01 -0.110947D+02  0.250378D+02
      6  -0.111721D+01 -0.358789D+01  0.543107D+01  0.674725D+01 -0.149990D+02
               276           277           278           279 
      1   0.667512D+01  0.224589D+02  0.200490D+01 -0.822857D+01
      2  -0.812780D+01 -0.992651D+01 -0.426404D+01  0.212788D+01
      3   0.145268D+01 -0.125324D+02  0.225914D+01  0.610069D+01
      4   0.264242D+02 -0.190611D+02  0.263332D+02 -0.269075D+02
      5  -0.279306D+02  0.193584D+02 -0.266282D+02  0.337376D+02
      6   0.145107D+02 -0.887184D+01  0.144297D+02 -0.155676D+02
 Leave Link  716 at Tue Aug 17 19:45:32 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.308454D+03  0.909802D+01  0.161332D+02
      2   0.909802D+01  0.175250D+03  0.895681D+01
      3   0.161332D+02  0.895681D+01  0.118823D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.200230D+01 -0.301234D+02 -0.123785D+01
      2   0.694374D+02  0.210437D+02 -0.185021D+02
      3   0.454793D+02 -0.571712D+02 -0.173824D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.288198D+03 -0.561334D+02  0.700313D+02
      2  -0.120172D+03  0.571258D+02 -0.205320D+02
      3  -0.168026D+03 -0.992438D+00 -0.494994D+02
      4  -0.541619D+02  0.125283D+03  0.517074D+02
      5   0.353852D+01  0.549755D+02 -0.450708D+02
      6   0.210418D+02 -0.529491D+02 -0.265910D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.378618D+02 -0.351080D+01 -0.302422D+01  0.414636D+02  0.850461D+01
      2  -0.351080D+01 -0.121730D+01 -0.899360D+00  0.850461D+01  0.901544D+01
      3  -0.302422D+01 -0.899360D+00  0.314790D-01  0.561863D+01  0.230217D+01
                 6             7             8             9            10 
      1   0.561863D+01  0.391705D+01  0.123716D+01 -0.379217D+00  0.421038D+02
      2   0.230217D+01  0.123716D+01  0.108365D+01  0.139754D+01  0.490359D+01
      3   0.593132D+00 -0.379217D+00  0.139754D+01  0.498516D+00  0.368394D+01
                11            12            13            14            15 
      1   0.490359D+01  0.368394D+01 -0.412231D+02 -0.764850D+01 -0.564521D+01
      2   0.437867D+01  0.101607D+01 -0.764850D+01 -0.770651D+01 -0.238603D+01
      3   0.101607D+01  0.223441D+00 -0.564521D+01 -0.238603D+01 -0.594119D+00
                16            17            18            19            20 
      1  -0.203632D+01 -0.833055D+00  0.802235D+00  0.427866D+02  0.556146D+01
      2  -0.833055D+00 -0.478099D+00 -0.119604D+01  0.556146D+01  0.417108D+01
      3   0.802235D+00 -0.119604D+01 -0.410765D+00  0.304761D+01  0.872458D+00
                21            22            23            24            25 
      1   0.304761D+01  0.251904D+02  0.257613D+01  0.629683D+00  0.107792D+02
      2   0.872458D+00  0.257613D+01  0.439804D+01  0.199416D+00  0.223509D+00
      3   0.461044D+00  0.629683D+00  0.199416D+00  0.227614D+01 -0.117481D+01
                26            27            28            29            30 
      1   0.223509D+00 -0.117481D+01 -0.562680D+02 -0.529075D+01 -0.705493D+00
      2   0.646222D-01  0.352104D+01 -0.529075D+01 -0.314946D+01 -0.342066D+00
      3   0.352104D+01  0.103952D+01 -0.705493D+00 -0.342066D+00 -0.211567D+01
                31            32            33            34            35 
      1  -0.118417D+02 -0.962885D+00  0.608418D+00 -0.634019D+01  0.394272D+00
      2  -0.962885D+00 -0.838634D+01 -0.217193D+01  0.394272D+00 -0.223325D+01
      3   0.608418D+00 -0.217193D+01 -0.739941D+00 -0.629646D+01 -0.124280D+01
                36            37            38            39            40 
      1  -0.629646D+01 -0.450308D+01 -0.302338D+00 -0.466994D+00 -0.110708D+02
      2  -0.124280D+01 -0.302338D+00 -0.929203D+01 -0.164422D+01 -0.191445D+01
      3  -0.174656D+01 -0.466994D+00 -0.164422D+01 -0.191441D+01  0.543883D+00
                41            42            43            44            45 
      1  -0.191445D+01  0.543883D+00 -0.202228D+01  0.111818D+01 -0.425869D+01
      2   0.270580D+01  0.134011D+01  0.111818D+01  0.249897D-01 -0.258663D+01
      3   0.134011D+01 -0.624126D+00 -0.425869D+01 -0.258663D+01 -0.302606D+01
                46            47            48            49            50 
      1   0.814248D+01  0.170979D+01  0.177179D+01 -0.210670D+01 -0.177083D+01
      2   0.170979D+01  0.649154D+01  0.236032D+01 -0.177083D+01 -0.215393D+00
      3   0.177179D+01  0.236032D+01  0.223963D+01 -0.453603D+00  0.837428D+00
                51            52            53            54            55 
      1  -0.453603D+00  0.416449D+00  0.284712D+00  0.150097D+01 -0.115510D+02
      2   0.837428D+00  0.284712D+00  0.234787D+01 -0.346288D+01 -0.421773D+01
      3  -0.100758D+01  0.150097D+01 -0.346288D+01 -0.126172D+01 -0.204290D+01
                56            57            58            59            60 
      1  -0.421773D+01 -0.204290D+01 -0.443028D+00  0.101393D+01 -0.628390D-01
      2  -0.950504D+01 -0.207815D+01  0.101393D+01 -0.377752D+00 -0.854252D+00
      3  -0.207815D+01 -0.208366D+01 -0.628390D-01 -0.854252D+00  0.108374D+01
                61            62            63            64            65 
      1  -0.136788D+01 -0.571318D+00 -0.155480D+01 -0.182514D+01  0.232517D+01
      2  -0.571318D+00 -0.271193D+01  0.341919D+01  0.232517D+01 -0.135758D+01
      3  -0.155480D+01  0.341919D+01  0.771171D+00 -0.107904D+00  0.156844D+00
                66            67            68            69            70 
      1  -0.107904D+00  0.323687D+01 -0.316628D+01 -0.856292D-01 -0.424844D+00
      2   0.156844D+00 -0.316628D+01  0.609487D+01  0.255907D+00 -0.129925D+00
      3  -0.110886D+00 -0.856292D-01  0.255907D+00  0.660328D+00  0.104641D+00
                71            72            73            74            75 
      1  -0.129925D+00  0.104641D+00 -0.509743D+01 -0.311837D+01 -0.119353D+01
      2   0.766822D+00  0.157889D+00 -0.311837D+01 -0.314290D+01 -0.931403D+00
      3   0.157889D+00  0.436464D-01 -0.119353D+01 -0.931403D+00 -0.707043D+00
                76            77            78            79            80 
      1  -0.363305D+01 -0.430144D+01 -0.128111D+01 -0.147328D+01 -0.122805D+01
      2  -0.430144D+01 -0.624614D+01 -0.161634D+01 -0.122805D+01 -0.137321D+01
      3  -0.128111D+01 -0.161634D+01 -0.116514D+01  0.375098D-01 -0.675391D+00
                81            82            83            84            85 
      1   0.375098D-01  0.126571D+01 -0.183259D+01 -0.234465D+00 -0.924425D+00
      2  -0.675391D+00 -0.183259D+01  0.282907D+01  0.346406D+00  0.206082D+01
      3  -0.317480D+00 -0.234465D+00  0.346406D+00  0.276473D+00  0.422412D+00
                86            87            88            89            90 
      1   0.206082D+01  0.422412D+00 -0.138028D+00  0.104400D+00 -0.100190D-01
      2  -0.975449D+01 -0.151331D+01  0.104400D+00 -0.144265D+01 -0.484323D+00
      3  -0.151331D+01 -0.106977D+01 -0.100190D-01 -0.484323D+00 -0.256824D+00
                91            92            93            94            95 
      1   0.274962D+02  0.383293D+01 -0.192930D+01  0.324032D+01  0.282904D+01
      2   0.383293D+01  0.186282D+01 -0.751922D+00  0.282904D+01 -0.105009D+01
      3  -0.192930D+01 -0.751922D+00  0.303908D+01 -0.158992D+00  0.315449D+01
                96            97            98            99           100 
      1  -0.158992D+00 -0.101600D+02 -0.172144D+01  0.622521D+01  0.707858D+01
      2   0.315449D+01 -0.172144D+01  0.173220D+01  0.234311D+01 -0.731743D+00
      3   0.117314D+01  0.622521D+01  0.234311D+01 -0.151727D+00  0.185913D+01
               101           102           103           104           105 
      1  -0.731743D+00  0.185913D+01  0.325438D+01 -0.242436D+01  0.113402D+01
      2  -0.220065D+01  0.139269D+01 -0.242436D+01  0.127899D+01 -0.295754D+01
      3   0.139269D+01 -0.338457D+01  0.113402D+01 -0.295754D+01 -0.172462D+01
               106           107           108           109           110 
      1   0.249035D+01  0.125135D+01 -0.199347D+01  0.412601D+01  0.218194D+01
      2   0.125135D+01 -0.193469D+01 -0.321921D+01  0.218194D+01  0.962709D+00
      3  -0.199347D+01 -0.321921D+01  0.298543D+01 -0.322693D+00 -0.480980D+00
               111           112           113           114           115 
      1  -0.322693D+00  0.204531D+01 -0.743260D+00  0.285012D+00  0.175596D+02
      2  -0.480980D+00 -0.743260D+00  0.180146D+00 -0.225892D+00  0.199093D+01
      3  -0.808650D+00  0.285012D+00 -0.225892D+00 -0.521917D+00 -0.642075D+01
               116           117           118           119           120 
      1   0.199093D+01 -0.642075D+01 -0.320547D+01 -0.167253D+01 -0.152518D+01
      2   0.762162D+00 -0.770633D+00 -0.167253D+01 -0.985644D+00 -0.433689D+00
      3  -0.770633D+00  0.947757D-01 -0.152518D+01 -0.433689D+00 -0.156552D+01
               121           122           123           124           125 
      1  -0.616877D+01 -0.195261D+01 -0.121708D+01 -0.230361D+01 -0.526034D+00
      2  -0.195261D+01 -0.261805D+01 -0.210070D+01 -0.526034D+00 -0.199995D+01
      3  -0.121708D+01 -0.210070D+01 -0.203294D+01 -0.259652D+01 -0.186958D+01
               126           127           128           129           130 
      1  -0.259652D+01  0.869867D+00  0.254064D+00 -0.111904D+01 -0.558974D+00
      2  -0.186958D+01  0.254064D+00  0.121491D+01 -0.115361D+01  0.199473D+00
      3  -0.381747D+01 -0.111904D+01 -0.115361D+01  0.247636D+01 -0.118666D+00
               131           132           133           134           135 
      1   0.199473D+00 -0.118666D+00 -0.166536D+01  0.338029D+00  0.144905D+00
      2   0.145056D+01 -0.126178D+01  0.338029D+00 -0.205002D+01  0.289190D+01
      3  -0.126178D+01  0.176109D+01  0.144905D+00  0.289190D+01 -0.708502D+01
               136           137           138           139           140 
      1  -0.846245D-01  0.399244D+00  0.450925D+00  0.125237D+01 -0.635743D+00
      2   0.399244D+00  0.654254D+00 -0.921264D-01 -0.635743D+00  0.417904D+01
      3   0.450925D+00 -0.921264D-01  0.609671D+00 -0.881663D-01  0.157134D+01
               141           142           143           144           145 
      1  -0.881663D-01  0.148720D+01 -0.945174D+00  0.117008D+00 -0.133056D+02
      2   0.157134D+01 -0.945174D+00  0.288879D+01  0.167790D+01  0.258005D+01
      3   0.171556D+01  0.117008D+00  0.167790D+01  0.196744D+01 -0.234979D+01
               146           147           148           149           150 
      1   0.258005D+01 -0.234979D+01  0.852469D+00 -0.100027D+01 -0.895737D-01
      2  -0.154108D+01  0.608398D+00 -0.100027D+01  0.165385D+00  0.541817D-01
      3   0.608398D+00 -0.147299D+01 -0.895737D-01  0.541817D-01  0.102809D-01
               151           152           153           154           155 
      1  -0.149061D+01  0.120988D+00 -0.136775D+01 -0.190214D+02 -0.380541D+01
      2   0.120988D+00  0.792234D-01  0.538072D+00 -0.380541D+01 -0.273604D+01
      3  -0.136775D+01  0.538072D+00 -0.986480D+00  0.125708D+01  0.877357D+00
               156           157           158           159           160 
      1   0.125708D+01 -0.515111D+01 -0.472906D+01  0.220898D+00  0.194396D+01
      2   0.877357D+00 -0.472906D+01 -0.299477D+01  0.508163D+00  0.549684D+00
      3  -0.304997D+01  0.220898D+00  0.508163D+00 -0.640953D+00 -0.265924D+01
               161           162           163           164           165 
      1   0.549684D+00 -0.265924D+01 -0.165724D+02 -0.201225D+01  0.540459D+01
      2  -0.154479D+00 -0.848928D+00 -0.201225D+01  0.146769D+00  0.173666D-01
      3  -0.848928D+00  0.384292D+00  0.540459D+01  0.173666D-01 -0.134007D+01
               166           167           168           169           170 
      1  -0.451538D+01 -0.948134D-01  0.902673D+00 -0.479852D+00 -0.745358D+00
      2  -0.948134D-01  0.192125D+00  0.130657D+01 -0.745358D+00  0.466422D+00
      3   0.902673D+00  0.130657D+01 -0.314431D+00 -0.114347D+00 -0.340993D+00
               171           172           173           174           175 
      1  -0.114347D+00  0.126355D+02  0.107826D+01 -0.310630D+01  0.316693D+01
      2  -0.340993D+00  0.107826D+01  0.186582D+00 -0.172075D+00 -0.320209D-01
      3   0.684584D+01 -0.310630D+01 -0.172075D+00  0.336778D+01 -0.966930D+00
               176           177           178           179           180 
      1  -0.320209D-01 -0.966930D+00 -0.779002D+01 -0.570893D+00  0.280196D+01
      2   0.138564D+00  0.633393D+00 -0.570893D+00  0.957137D+00  0.362728D+00
      3   0.633393D+00  0.983885D+00  0.280196D+01  0.362728D+00  0.126474D+00
               181           182           183           184           185 
      1   0.118089D+02  0.187555D+01  0.932173D+00  0.787145D+01  0.527855D+00
      2   0.187555D+01  0.106481D+02  0.949147D+00  0.527855D+00 -0.394803D+01
      3   0.932173D+00  0.949147D+00  0.175739D+01 -0.633318D-01 -0.111674D+01
               186           187           188           189           190 
      1  -0.633318D-01  0.151909D+01 -0.957474D+00  0.487646D+01  0.333762D+02
      2  -0.111674D+01 -0.957474D+00 -0.570054D+00  0.306134D+01  0.242320D+01
      3   0.728118D+00  0.487646D+01  0.306134D+01  0.260190D+01  0.262880D+01
               191           192           193           194           195 
      1   0.242320D+01  0.262880D+01  0.177539D+02  0.989261D+00  0.476502D+00
      2   0.599816D+01  0.760084D+00  0.989261D+00  0.124358D+02  0.143493D+01
      3   0.760084D+00  0.292760D+01  0.476502D+00  0.143493D+01  0.630462D+00
               196           197           198           199           200 
      1   0.557194D+01 -0.869303D+00  0.705371D+01 -0.393731D+02 -0.532509D+01
      2  -0.869303D+00  0.261608D+01  0.114338D+01 -0.532509D+01 -0.734851D+01
      3   0.705371D+01  0.114338D+01  0.211970D+01 -0.420461D+01 -0.965309D+00
               201           202           203           204           205 
      1  -0.420461D+01 -0.206731D+02 -0.440956D+00 -0.192302D+01 -0.864293D+01
      2  -0.965309D+00 -0.440956D+00 -0.563209D+01  0.160545D+00 -0.305280D+00
      3  -0.320621D+00 -0.192302D+01  0.160545D+00 -0.219414D+01 -0.456023D+00
               206           207           208           209           210 
      1  -0.305280D+00 -0.456023D+00 -0.350018D+01  0.927433D+00 -0.561256D+00
      2  -0.585200D+00 -0.369763D+01  0.927433D+00 -0.235961D+01 -0.488283D+00
      3  -0.369763D+01 -0.169458D+01 -0.561256D+00 -0.488283D+00 -0.154986D+00
               211           212           213           214           215 
      1  -0.375754D+00  0.208420D+01  0.525012D+00 -0.615431D+00  0.334567D+00
      2   0.208420D+01  0.172726D+01  0.666589D+00  0.334567D+00 -0.168015D+00
      3   0.525012D+00  0.666589D+00 -0.924368D+00  0.500784D+00  0.532235D+00
               216           217           218           219           220 
      1   0.500784D+00 -0.117534D+01 -0.206249D+01 -0.584535D+00 -0.204459D+01
      2   0.532235D+00 -0.206249D+01  0.312741D+01 -0.473085D+00 -0.840256D+00
      3   0.124024D+00 -0.584535D+00 -0.473085D+00  0.147261D+01 -0.981520D+00
               221           222           223           224           225 
      1  -0.840256D+00 -0.981520D+00 -0.138203D+00 -0.680099D+00 -0.177520D+01
      2  -0.366634D+00 -0.189966D+01 -0.680099D+00 -0.115178D+01  0.367116D+01
      3  -0.189966D+01  0.521855D+01 -0.177520D+01  0.367116D+01  0.237153D+01
               226           227           228           229           230 
      1  -0.904199D+00  0.152811D+01  0.151503D+00  0.440321D+00 -0.140808D+01
      2   0.152811D+01 -0.292532D+01 -0.291536D+00 -0.140808D+01  0.982050D+01
      3   0.151503D+00 -0.291536D+00 -0.262904D+00 -0.301329D+00  0.123908D+01
               231           232           233           234           235 
      1  -0.301329D+00 -0.502473D-01 -0.146574D+00  0.142162D+00  0.601582D+01
      2   0.123908D+01 -0.146574D+00  0.129478D+01  0.464196D+00  0.420867D+01
      3   0.970436D+00  0.142162D+00  0.464196D+00  0.273753D+00  0.136763D+01
               236           237           238           239           240 
      1   0.420867D+01  0.136763D+01  0.489015D+01  0.517458D+01  0.137815D+01
      2   0.388096D+01  0.100531D+01  0.517458D+01  0.676880D+01  0.155180D+01
      3   0.100531D+01  0.857157D+00  0.137815D+01  0.155180D+01  0.119509D+01
               241           242           243           244           245 
      1   0.171041D+01  0.144469D+01  0.161263D+00  0.226814D+01 -0.236593D+01
      2   0.144469D+01  0.157165D+01  0.700462D+00 -0.236593D+01  0.148007D+01
      3   0.161263D+00  0.700462D+00  0.358776D+00 -0.193859D+00 -0.116071D-01
               246           247           248           249           250 
      1  -0.193859D+00 -0.370568D+01  0.332671D+01  0.291513D+00 -0.419546D+00
      2  -0.116071D-01  0.332671D+01 -0.600614D+01 -0.658394D+00  0.298006D+00
      3   0.105807D+00  0.291513D+00 -0.658394D+00 -0.645294D+00  0.504917D-01
               251           252           253           254           255 
      1   0.298006D+00  0.504917D-01  0.160248D+02 -0.432062D+00  0.146330D+01
      2  -0.911256D+00 -0.705272D-01 -0.432062D+00  0.905373D+00 -0.370160D-01
      3  -0.705272D-01 -0.903693D-01  0.146330D+01 -0.370160D-01  0.124071D+01
               256           257           258           259           260 
      1   0.209386D+01  0.112772D+01  0.177847D+00  0.198909D+01 -0.787267D-01
      2   0.112772D+01  0.397550D+00  0.283293D+00 -0.787267D-01  0.316469D+00
      3   0.177847D+00  0.283293D+00  0.443873D-02  0.173800D+01 -0.349350D+00
               261           262           263           264           265 
      1   0.173800D+01 -0.251451D+00  0.340219D+00 -0.817597D+00 -0.772678D+00
      2  -0.349350D+00  0.340219D+00 -0.237367D+00  0.219028D+00  0.154265D+01
      3   0.370570D+00 -0.817597D+00  0.219028D+00 -0.539579D+00  0.120459D+01
               266           267           268           269           270 
      1   0.154265D+01  0.120459D+01 -0.473430D+01  0.219002D+01  0.305850D+01
      2  -0.169930D+01 -0.143823D+01  0.219002D+01 -0.181826D+01 -0.228205D+01
      3  -0.143823D+01 -0.206181D+01  0.305850D+01 -0.228205D+01 -0.579161D+01
               271           272           273           274           275 
      1  -0.149823D+01  0.550409D+00  0.471188D+00 -0.154350D+01  0.210884D+01
      2   0.550409D+00 -0.939967D+00  0.664961D+00  0.210884D+01 -0.394712D+01
      3   0.471188D+00  0.664961D+00 -0.125470D+01 -0.982242D+00  0.270140D+01
               276           277           278           279 
      1  -0.982242D+00  0.290863D+01 -0.157178D+01  0.174148D+01
      2   0.270140D+01 -0.157178D+01  0.260996D+01 -0.278519D+01
      3  -0.274325D+01  0.174148D+01 -0.278519D+01  0.365930D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.356200D+01 -0.354552D+01 -0.138031D+00 -0.749362D+01 -0.648398D+01
      2  -0.109735D+02 -0.420929D+01 -0.792998D+00  0.110828D+02  0.123033D+00
      3  -0.269034D+02  0.235006D+02  0.131518D+01  0.402595D+02  0.188671D+02
                 6             7             8             9            10 
      1  -0.174015D+01  0.347405D+01  0.610368D+01  0.122197D+01 -0.170800D+01
      2  -0.202911D+00 -0.185044D+02 -0.331687D+01 -0.269093D+01  0.221280D+02
      3   0.613570D+01  0.257245D+01  0.737674D+01  0.105252D+00  0.373224D+01
                11            12            13            14            15 
      1  -0.567371D+01 -0.984626D+00 -0.574106D+01 -0.209169D+01 -0.130844D+00
      2  -0.656786D+00 -0.323551D+01 -0.182637D+02 -0.543555D+01 -0.292890D+01
      3   0.259611D+02  0.346019D+01  0.497112D+02  0.250443D+02  0.933611D+01
                16            17            18            19            20 
      1   0.380660D+01  0.715062D+01  0.192185D+01 -0.450791D+01  0.121272D+01
      2  -0.227641D+02 -0.323038D+01 -0.306108D+01  0.189443D+02  0.707804D+01
      3   0.685555D+01  0.835598D+01  0.234099D+01  0.297716D+02 -0.205640D+02
                21            22            23            24            25 
      1  -0.309244D+00 -0.849719D+00 -0.340790D+01 -0.274818D+01  0.804459D+01
      2   0.725651D+00  0.167041D+02  0.279760D+01 -0.117844D+01 -0.143662D+02
      3   0.304549D-01  0.108224D+02  0.229206D+01  0.502946D+00 -0.133664D+01
                26            27            28            29            30 
      1   0.248988D+01 -0.241671D+01 -0.936710D+00 -0.156580D+01 -0.236496D+00
      2  -0.679181D+01 -0.326838D+01 -0.339345D+02 -0.534765D+01  0.682371D+00
      3  -0.436304D+01  0.149258D+01 -0.627054D+01  0.933359D+01  0.127405D+01
                31            32            33            34            35 
      1  -0.694987D+01  0.280472D+01  0.322197D+01 -0.189941D+01  0.150668D+02
      2  -0.786864D+01  0.146123D+01  0.617234D+00 -0.165250D+02 -0.104338D+01
      3   0.251850D+02 -0.453003D+01 -0.464166D+01  0.233386D+01  0.394379D+00
                36            37            38            39            40 
      1   0.388279D+01 -0.130419D+01  0.534288D+01 -0.245931D+01  0.452751D+01
      2  -0.508497D+00 -0.232383D-01  0.219926D+00  0.140864D+01 -0.617051D+01
      3  -0.198595D+01  0.217632D+02 -0.468862D+01 -0.124916D+01  0.101054D+01
                41            42            43            44            45 
      1  -0.382489D+01 -0.227836D+01 -0.160125D+02  0.475538D+01 -0.112229D+01
      2  -0.491888D+01  0.101485D+01 -0.116682D+02  0.728221D+01 -0.911142D+00
      3   0.100721D+02  0.407663D+01 -0.309026D+00  0.243054D+01  0.603777D+01
                46            47            48            49            50 
      1   0.261072D+01 -0.808309D+00  0.341663D+01  0.128263D+01  0.409197D+01
      2   0.626508D+01  0.268247D+01  0.241277D+01  0.276543D+01  0.281052D+01
      3  -0.364168D+02 -0.233826D+02 -0.520724D+01 -0.119731D+02 -0.221086D+02
                51            52            53            54            55 
      1  -0.240344D+01  0.110884D+02 -0.277949D+01  0.319209D+01  0.249746D+01
      2   0.113277D+01 -0.170820D+02  0.413265D+00  0.272175D+00  0.539200D+01
      3  -0.448846D+01 -0.897378D+01 -0.576628D+01 -0.743491D+01 -0.251627D+02
                56            57            58            59            60 
      1   0.424808D+01  0.515432D+01 -0.138599D+01  0.393089D+01 -0.192460D+01
      2   0.241145D+00 -0.342803D+01  0.481417D+01  0.274694D+01  0.337518D+01
      3  -0.128442D+02 -0.301968D+01 -0.175072D+01 -0.218958D+02 -0.991325D+00
                61            62            63            64            65 
      1   0.988768D+01 -0.232098D+01  0.127719D+01 -0.188909D+00 -0.740268D+00
      2  -0.218810D+02  0.492555D+01  0.459341D+00  0.697267D+00  0.144304D+00
      3  -0.464019D+01 -0.276669D+01 -0.135440D+02 -0.229686D+01  0.184602D+01
                66            67            68            69            70 
      1   0.876675D+00  0.348393D+00 -0.148039D+01 -0.338541D+01  0.582378D-01
      2   0.145761D-01  0.638027D+00 -0.102224D+01 -0.151245D+01 -0.235559D+01
      3  -0.133315D+00  0.572823D+01  0.361696D+01  0.844286D+00 -0.390759D-01
                71            72            73            74            75 
      1   0.171355D+01  0.160766D+00  0.320986D+00  0.126306D+01 -0.197016D+01
      2   0.972547D+00 -0.505062D-02 -0.352158D+01 -0.131320D+01  0.103558D+01
      3   0.866956D+00 -0.710106D+00  0.747139D+01  0.183862D+00  0.743084D+00
                76            77            78            79            80 
      1   0.129621D+01  0.264575D+01 -0.269219D+01  0.315924D+01  0.198542D+01
      2  -0.177486D+01 -0.129853D+01  0.191993D+01 -0.280830D+01 -0.380727D+00
      3   0.175169D+01 -0.235201D+01  0.905699D-02  0.154298D+01 -0.295033D+00
                81            82            83            84            85 
      1   0.168878D+00  0.135592D+01 -0.176791D+01  0.136041D+01 -0.550757D+00
      2   0.755230D+00  0.138537D+01 -0.129092D+01  0.775781D+00 -0.114037D+01
      3  -0.104845D+01 -0.589002D+01  0.292026D+01  0.216036D+00  0.520700D+01
                86            87            88            89            90 
      1   0.399294D+01 -0.367427D+01 -0.133192D+01  0.246417D+01 -0.405656D+00
      2   0.192360D+01 -0.925279D+00 -0.336248D+00 -0.684564D+00 -0.391396D+00
      3  -0.374908D+01 -0.106554D+01 -0.301474D+00 -0.877279D+00  0.840123D+00
                91            92            93            94            95 
      1  -0.547973D+00 -0.135610D+01  0.475820D+00  0.224464D+01  0.276130D+00
      2   0.255218D+02  0.457559D+01 -0.948484D+01  0.320493D+01 -0.750404D+01
      3   0.552854D+01 -0.214994D+01 -0.140687D+01  0.185970D+02 -0.631629D+01
                96            97            98            99           100 
      1  -0.321729D+01  0.563980D-01  0.363426D+01 -0.398649D+01 -0.157057D+01
      2  -0.372782D+01 -0.432709D+02 -0.928797D+01  0.411914D+01  0.184880D+01
      3   0.124672D+02 -0.217856D+01  0.118470D+02  0.881316D+01  0.146005D+02
               101           102           103           104           105 
      1   0.295499D+01  0.245640D+01  0.554346D+00  0.347693D+01  0.595834D+01
      2  -0.524324D+01  0.163858D+02 -0.156640D+01  0.788345D+01  0.803102D+01
      3  -0.164069D+02  0.862810D+01 -0.961246D+01 -0.942767D+00 -0.124502D+02
               106           107           108           109           110 
      1  -0.116078D+01  0.102634D+02  0.135365D+00  0.693903D+01  0.193486D+01
      2   0.741879D+01  0.130895D+02 -0.127362D+02 -0.218590D+02 -0.387451D+01
      3   0.668475D+01 -0.795685D+01 -0.172691D+02 -0.199760D+01  0.153552D+02
               111           112           113           114           115 
      1   0.547362D+01  0.134681D+02  0.545776D+01 -0.158026D+02  0.385806D+01
      2   0.157538D+01 -0.950618D+00 -0.801999D+00 -0.412566D+01  0.266237D+02
      3   0.701543D+00  0.127101D+02  0.115307D+02 -0.247806D+01  0.537528D+01
               116           117           118           119           120 
      1  -0.371821D+01 -0.256860D+01  0.554938D+00  0.117387D+01  0.291449D+00
      2   0.658183D+00 -0.459183D+00  0.386003D+01  0.632100D+00  0.558818D+01
      3  -0.472109D+01 -0.274679D+01 -0.758564D+01 -0.560983D+01 -0.176557D+01
               121           122           123           124           125 
      1   0.735399D-01  0.221576D+01  0.421558D+00 -0.308115D-01  0.276306D+01
      2  -0.838268D+00  0.536931D+01  0.649549D+01  0.596496D+01  0.562350D+01
      3  -0.291187D+01 -0.898685D+01 -0.739684D+01 -0.162830D+01 -0.848369D+01
               126           127           128           129           130 
      1   0.861739D+00  0.803706D+00 -0.150297D+01 -0.212706D+01 -0.141151D+00
      2   0.102740D+02  0.731868D+01  0.368897D+01 -0.918488D+01  0.316970D+00
      3  -0.729598D+01  0.362367D+01  0.556387D+01 -0.642116D+01  0.312071D+01
               131           132           133           134           135 
      1  -0.391332D+00 -0.233244D+01 -0.144420D+01  0.119108D+01  0.617306D+01
      2   0.474335D+01 -0.661212D+01 -0.542827D+01 -0.967502D+01  0.248609D+02
      3   0.600583D+01 -0.563276D+01 -0.280022D+01 -0.743793D+01  0.132392D+02
               136           137           138           139           140 
      1  -0.170682D+01 -0.837978D+00 -0.145586D+01  0.107297D+00 -0.747510D+01
      2  -0.261179D+01  0.841202D+00 -0.165047D+01  0.870718D+00 -0.636790D+01
      3   0.460519D+01  0.366240D+01  0.123821D+01  0.236034D+01  0.171883D+02
               141           142           143           144           145 
      1  -0.707649D+01  0.147972D+00 -0.500668D+01 -0.713133D+01  0.488454D+00
      2  -0.634952D+01 -0.127945D+01 -0.655430D+01 -0.719246D+01 -0.679136D+01
      3   0.724554D+01  0.119841D+01  0.115755D+02  0.875723D+01 -0.865504D+01
               146           147           148           149           150 
      1   0.164432D+01  0.172190D+01  0.110850D+01 -0.201921D+00 -0.115183D+01
      2   0.990865D-01  0.568184D+01  0.832379D+00 -0.178014D+01 -0.967509D-01
      3  -0.609302D+01 -0.465506D+00 -0.164818D+01 -0.377148D+00  0.140653D+01
               151           152           153           154           155 
      1   0.133927D+01 -0.384912D+00  0.317045D+00 -0.509948D+01 -0.159276D+01
      2   0.285679D+01 -0.166464D+01  0.243424D+01  0.100532D+02  0.156923D+00
      3  -0.166959D+01  0.105125D+01  0.485010D+00 -0.617088D+01 -0.258489D+02
               156           157           158           159           160 
      1  -0.567863D+01 -0.958805D+01 -0.347233D+01  0.763901D-01 -0.304830D+01
      2   0.228289D+02 -0.272791D+01  0.117635D+01  0.635072D+01  0.709637D+01
      3   0.137312D+01 -0.170994D+02 -0.157154D+02  0.161464D+01  0.213212D+00
               161           162           163           164           165 
      1   0.256171D+01  0.429194D+00 -0.715795D+01 -0.284732D+01  0.753761D+00
      2   0.385873D+01 -0.174253D+01  0.931194D+01  0.382967D+01  0.199734D+01
      3   0.255738D+01 -0.207086D+01 -0.647051D+01 -0.310767D+01  0.101625D+00
               166           167           168           169           170 
      1  -0.617566D+01 -0.552139D+00  0.471838D+01  0.197386D+01  0.761091D+01
      2   0.393959D+01 -0.537635D+01  0.163490D+01 -0.113982D+02  0.644727D+00
      3   0.672616D+00 -0.453136D-01  0.595862D+01 -0.232913D+01  0.263940D+01
               171           172           173           174           175 
      1   0.300487D+01  0.782156D+01  0.253538D+01 -0.170725D+01  0.707163D+01
      2  -0.223207D+02 -0.212704D+02 -0.269792D+01 -0.635166D+01 -0.488758D+01
      3  -0.396067D+00  0.373399D+01  0.173929D+01 -0.119692D+01  0.541292D+01
               176           177           178           179           180 
      1   0.805997D+00 -0.295438D+01 -0.164526D+01 -0.125332D+01  0.608494D+00
      2  -0.260665D+01 -0.184382D+01 -0.142020D+01  0.263711D+00 -0.183684D+01
      3   0.153219D+00  0.560718D+00 -0.216420D+01 -0.757473D+00  0.703239D+00
               181           182           183           184           185 
      1  -0.813425D+00 -0.193005D+01 -0.468337D+01  0.413047D+01 -0.305381D+01
      2  -0.130392D+01  0.138337D+01  0.563920D+01  0.343596D+01 -0.810297D+01
      3   0.239452D+02 -0.115352D+02  0.817745D+00 -0.719982D+01  0.274222D+02
               186           187           188           189           190 
      1  -0.178748D+01 -0.162781D+02  0.558502D+01 -0.291747D+01 -0.150414D+01
      2   0.719105D+00 -0.468574D-01  0.105670D+02  0.433353D+01  0.101226D+02
      3   0.411435D+01 -0.651155D+00  0.603178D+01  0.302242D+01  0.768352D+01
               191           192           193           194           195 
      1  -0.624155D+01 -0.184206D+01 -0.822131D+01 -0.462596D+01  0.215450D+01
      2  -0.283452D+01 -0.103745D+01 -0.298277D+01  0.536436D+01  0.104584D+01
      3   0.204927D+02  0.423872D+01  0.563028D+02 -0.205326D+02  0.299141D+01
               196           197           198           199           200 
      1   0.183312D+01  0.131468D+02  0.309610D+01  0.494423D+00  0.418791D+01
      2   0.118118D+01  0.269807D+01  0.311399D+01 -0.149144D+02  0.109459D+01
      3   0.116973D+02  0.153139D+01 -0.543022D+00  0.150289D+01 -0.182265D+02
               201           202           203           204           205 
      1   0.730992D+00  0.146654D+01  0.201365D+01 -0.253252D+01  0.324510D+01
      2   0.293861D+01 -0.106104D+01  0.257676D+01 -0.344239D+01 -0.218503D+02
      3  -0.295071D+01 -0.132354D+02 -0.430282D+00 -0.385852D+01 -0.606770D+01
               206           207           208           209           210 
      1   0.376309D+01  0.905454D+00  0.165336D+01  0.588756D+01  0.173344D+01
      2  -0.135128D+02 -0.594896D+01  0.160867D+01  0.479304D+01  0.120928D+02
      3  -0.577029D+01  0.522643D+01 -0.139746D+02 -0.393783D+02 -0.623561D+01
               211           212           213           214           215 
      1   0.957886D+00  0.152773D+01 -0.605226D+01 -0.278876D+01 -0.207423D+00
      2   0.156069D+01  0.213093D+01 -0.681537D+01 -0.452447D+01  0.543813D+01
      3  -0.202224D+01 -0.601749D+01 -0.271875D+01 -0.334417D+01 -0.497780D+01
               216           217           218           219           220 
      1  -0.137344D+01 -0.256568D+01 -0.141441D+01  0.150260D+01  0.102595D+01
      2   0.981159D+00 -0.713526D+01 -0.344219D+01  0.762364D+01 -0.368623D+01
      3  -0.294059D+01  0.357967D+02 -0.106156D+02  0.785930D+01  0.267522D+01
               221           222           223           224           225 
      1  -0.499391D+00  0.758696D+01 -0.127764D+02  0.952497D+01  0.450525D+01
      2  -0.675343D+01  0.309640D+02 -0.862221D+01  0.210074D+02  0.149315D+02
      3  -0.208281D+02  0.852971D+01  0.604121D+01  0.570642D+01 -0.267877D+02
               226           227           228           229           230 
      1   0.455086D+00 -0.560755D+00  0.161558D+01  0.367941D+00  0.626851D-01
      2   0.106055D+01 -0.101427D+01  0.215016D+00 -0.113289D+01  0.332441D+01
      3  -0.803267D+01  0.772065D+01  0.508787D+00  0.629958D+01 -0.207088D+02
               231           232           233           234           235 
      1  -0.440982D+01 -0.920039D+00  0.185937D+01 -0.547327D+00 -0.135293D+01
      2   0.656691D+00  0.357183D+00  0.529389D+00  0.124043D+00  0.188485D+01
      3  -0.321110D+01  0.135838D-01 -0.254144D+01  0.877039D-01  0.244953D+00
               236           237           238           239           240 
      1  -0.129694D+00 -0.253962D+01 -0.834449D+00  0.112283D+00 -0.344709D+01
      2   0.175705D+01  0.345953D+01  0.271741D+01  0.324264D+01  0.469971D+01
      3  -0.593720D+01 -0.535444D+00 -0.635972D+01 -0.139692D+02 -0.248291D+01
               241           242           243           244           245 
      1   0.239378D+01  0.811435D+00 -0.351442D+00  0.535471D+00 -0.517080D+00
      2  -0.184835D+01  0.201554D+01  0.145849D+01  0.655348D+00 -0.627541D+00
      3  -0.930957D+00 -0.255366D+01 -0.225311D+01  0.860631D+00 -0.220880D+01
               246           247           248           249           250 
      1   0.809889D+00 -0.594880D+00  0.385375D+00 -0.290707D+01  0.156989D+00
      2   0.427913D+00 -0.586754D+00 -0.137585D+01 -0.232697D+01 -0.138514D+01
      3  -0.124344D+00 -0.121164D+01  0.146325D+02  0.201054D+01 -0.294162D+00
               251           252           253           254           255 
      1   0.133860D+01 -0.130080D+00  0.148314D+01  0.611971D+00  0.121486D+01
      2   0.979608D+00 -0.170031D+00  0.551460D+01  0.752680D-01  0.933025D+01
      3   0.278426D+01 -0.785197D-01 -0.130910D+02 -0.846423D+01 -0.159698D+01
               256           257           258           259           260 
      1   0.206187D+00  0.473682D+00 -0.700864D+00  0.200294D+01 -0.312281D-02
      2   0.533126D+00  0.133611D+01  0.883449D-01  0.791277D+01 -0.176293D+01
      3  -0.621270D+01 -0.336552D+01 -0.177658D+01 -0.144554D+01 -0.232639D+01
               261           262           263           264           265 
      1   0.107593D+00 -0.448616D+00  0.456710D-01 -0.112097D+01  0.841554D+00
      2   0.183165D+01 -0.638854D+01  0.117603D+01 -0.244018D+01  0.599959D+01
      3   0.129945D+01 -0.794350D+00  0.310448D+01  0.293325D+00 -0.564010D+01
               266           267           268           269           270 
      1  -0.205118D+01 -0.394033D+01  0.489588D+01 -0.140796D+01 -0.955093D+01
      2  -0.822485D+01 -0.120769D+02  0.111461D+02 -0.133107D+02 -0.327060D+02
      3   0.133225D+02  0.933598D+01 -0.799752D+01  0.131012D+02  0.166162D+02
               271           272           273           274           275 
      1  -0.162937D+00 -0.110856D-01 -0.233567D+01 -0.619062D+00  0.858386D+00
      2   0.522044D+01  0.256263D+01 -0.582219D+01 -0.377732D+01  0.125588D+02
      3   0.297052D+00  0.804854D+01 -0.496844D+01 -0.672231D+01  0.272704D+02
               276           277           278           279 
      1  -0.425972D+01  0.246566D+01 -0.107194D+01  0.500956D+01
      2  -0.145805D+02  0.458022D+01 -0.142979D+02  0.179352D+02
      3  -0.158825D+02  0.457277D+01 -0.166552D+02  0.180384D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.695242D+02 -0.250577D+02 -0.102642D+02  0.787694D+02  0.133578D+01
      2   0.345994D+02  0.141444D+02  0.701623D+01 -0.355965D+02  0.937417D+01
      3   0.349248D+02  0.109133D+02  0.324799D+01 -0.431729D+02 -0.107100D+02
      4   0.660362D+00  0.130325D+02  0.314734D+01  0.111956D+02  0.212602D+02
      5  -0.100063D+02  0.906362D+00 -0.234093D+01  0.124984D+01  0.199091D+01
      6  -0.212069D+01  0.329436D+01  0.389596D+00 -0.151844D+01 -0.335331D+00
                 6             7             8             9            10 
      1   0.104589D+02  0.418867D+01 -0.849226D+00 -0.861642D+01  0.925868D+02
      2  -0.206035D+01  0.915512D+00  0.306923D+01 -0.927828D+00 -0.376775D+02
      3  -0.839860D+01 -0.510418D+01 -0.222001D+01  0.954425D+01 -0.549093D+02
      4   0.513498D+01  0.210285D+01  0.425029D+01  0.253875D+01 -0.224132D+02
      5  -0.204311D+01 -0.819489D+00  0.117390D+01 -0.344907D+01  0.730731D+01
      6  -0.119123D+00 -0.300848D+01  0.371938D+01 -0.268798D+01  0.340635D+00
                11            12            13            14            15 
      1  -0.110089D+02  0.910372D+01 -0.763962D+02 -0.249244D+02 -0.110104D+02
      2   0.857969D+01 -0.204744D+01  0.278539D+02  0.149593D+02  0.678221D+01
      3   0.242917D+01 -0.705629D+01  0.485423D+02  0.996515D+01  0.422824D+01
      4   0.112394D+02  0.205193D+01 -0.267322D+02 -0.195076D+02 -0.494756D+01
      5   0.373492D+01 -0.801060D+01 -0.360616D+01 -0.110189D+01  0.307877D+00
      6   0.290650D+00  0.129433D+00 -0.253689D+01  0.412223D+01 -0.269038D+00
                16            17            18            19            20 
      1  -0.189071D+01 -0.465425D+01 -0.603385D+01  0.389918D+02  0.334898D+02
      2   0.254412D+01  0.288080D+01 -0.264279D+01 -0.173334D+02 -0.217282D+02
      3  -0.653411D+00  0.177344D+01  0.867664D+01 -0.216585D+02 -0.117616D+02
      4  -0.785790D+01 -0.194327D+01 -0.404389D+01  0.518203D+01 -0.178821D+02
      5   0.242422D+01 -0.184487D+01 -0.375206D+01  0.975545D+01  0.188468D+01
      6  -0.254375D+01  0.391977D+01 -0.135993D+01  0.345962D+01 -0.787484D+01
                21            22            23            24            25 
      1   0.147894D+02 -0.120161D+02  0.204093D+02  0.110730D+02  0.376373D+01
      2  -0.818351D+01  0.219661D+02 -0.226499D+02 -0.677940D+01  0.520984D+01
      3  -0.660593D+01 -0.995002D+01  0.224058D+01 -0.429362D+01 -0.897357D+01
      4  -0.102797D+01  0.877511D+01 -0.154387D+01  0.217806D+01  0.785839D+01
      5  -0.691477D+00  0.680569D+01  0.318089D+01 -0.564711D+01  0.106912D+02
      6  -0.147114D+01  0.740525D+01 -0.100073D+02  0.422466D+01  0.936236D+00
                26            27            28            29            30 
      1   0.176325D+02 -0.468419D+01  0.291543D+02  0.795663D+01 -0.991540D+01
      2  -0.109769D+02 -0.438784D+01 -0.357441D+02 -0.377705D+01  0.449505D+01
      3  -0.665555D+01  0.907203D+01  0.658984D+01 -0.417957D+01  0.542034D+01
      4   0.989042D+00 -0.463676D+01  0.153247D+02  0.124462D+02  0.156943D+01
      5  -0.750677D+01 -0.524063D+01 -0.109459D+02  0.192699D+01  0.794225D+01
      6   0.834109D+01 -0.406126D+01 -0.776568D+01  0.342877D+01  0.143495D+01
                31            32            33            34            35 
      1  -0.251426D+02 -0.519063D+02 -0.124364D+02 -0.173760D+02 -0.116676D+02
      2   0.152046D+02  0.416920D+02  0.131964D+02  0.452433D+00  0.882652D+01
      3   0.993802D+01  0.102144D+02 -0.759921D+00  0.169236D+02  0.284106D+01
      4  -0.323660D+02  0.155679D+02  0.433143D+01 -0.111222D+02  0.510145D+01
      5  -0.147296D+02  0.933662D-01  0.434897D-01  0.229816D+02  0.443930D+01
      6  -0.376847D+01  0.141800D+02  0.266551D+00 -0.160429D+01  0.676203D+01
                36            37            38            39            40 
      1  -0.777684D+01 -0.121469D+02 -0.609152D+02 -0.125402D+02  0.291907D+02
      2  -0.700658D+01  0.547874D+01  0.423637D+02  0.499271D+01 -0.269616D+02
      3   0.147834D+02  0.666816D+01  0.185515D+02  0.754744D+01 -0.222915D+01
      4   0.178246D+01 -0.259253D+02 -0.271310D+01 -0.511963D+01  0.206254D+02
      5   0.249608D+01 -0.354054D+00 -0.801302D+01  0.591616D+00 -0.472402D+00
      6  -0.206900D+01 -0.540235D+01  0.789856D+01  0.742652D+01 -0.720750D+01
                41            42            43            44            45 
      1   0.290240D+02  0.640788D+01 -0.102175D+01 -0.652065D+01 -0.178866D+02
      2  -0.255142D+02 -0.736631D+01 -0.124228D+02 -0.374301D+01 -0.529327D+00
      3  -0.350978D+01  0.958434D+00  0.134445D+02  0.102637D+02  0.184159D+02
      4  -0.212945D+02 -0.670168D+01 -0.103130D+02 -0.776571D+01  0.482147D+01
      5  -0.472187D+01  0.511034D+01  0.122431D+02  0.490523D+01  0.630419D+01
      6  -0.121431D+02 -0.674656D+00  0.149070D+02  0.106753D+02  0.816615D+01
                46            47            48            49            50 
      1   0.143964D+02  0.485634D+02  0.143075D+02 -0.206648D+02  0.581287D+01
      2  -0.100150D+02 -0.299331D+02 -0.474568D+01  0.169000D+02 -0.119031D+02
      3  -0.438134D+01 -0.186303D+02 -0.956182D+01  0.376484D+01  0.609028D+01
      4   0.265148D+02 -0.103627D+02  0.479505D+00  0.149189D+02  0.128800D+02
      5  -0.609504D+01 -0.400635D+00  0.159308D+01 -0.144308D+01  0.253743D+01
      6   0.114689D+01 -0.108204D+02 -0.861789D+01  0.535958D+01 -0.744507D+01
                51            52            53            54            55 
      1   0.265379D+01  0.811607D+00  0.992317D+01 -0.197931D+02 -0.188418D+02
      2  -0.531076D+01  0.279908D+01 -0.173908D+02  0.733674D+01  0.240106D+01
      3   0.265697D+01 -0.361069D+01  0.746767D+01  0.124563D+02  0.164408D+02
      4   0.442560D+01  0.614734D+01 -0.789488D+00 -0.365213D+01 -0.150206D+02
      5   0.145575D+00  0.380887D+01 -0.166640D+01 -0.492401D+01  0.354704D+01
      6   0.480490D+01 -0.418198D+01  0.167947D+02  0.484344D+01  0.143794D+01
                56            57            58            59            60 
      1   0.306620D+02  0.669440D+01 -0.543345D+01  0.148617D+02  0.643677D+01
      2  -0.266490D+02 -0.356318D+01  0.789473D+01 -0.174423D+02 -0.639834D+01
      3  -0.401296D+01 -0.313122D+01 -0.246128D+01  0.258060D+01 -0.384302D-01
      4  -0.513555D+02 -0.915993D+01  0.122299D+02  0.100208D+02 -0.260938D+00
      5  -0.534284D+01 -0.636336D+01  0.474917D+01 -0.454750D+00  0.428672D+01
      6  -0.624334D+01 -0.830866D+01  0.402235D+01 -0.755842D+01  0.544800D+01
                61            62            63            64            65 
      1  -0.428955D+00  0.100435D+02 -0.257025D+02  0.257339D+01  0.180449D+00
      2   0.122292D+01 -0.153946D+02  0.119552D+02  0.174365D+01 -0.236657D+01
      3  -0.793962D+00  0.535102D+01  0.137473D+02 -0.431705D+01  0.218612D+01
      4  -0.209608D+00 -0.110772D+02  0.654882D+01 -0.103344D+02  0.100200D+02
      5  -0.130314D+01  0.114732D+02 -0.642496D+00  0.281639D+01 -0.984841D+00
      6  -0.452317D+01  0.208063D+02  0.148765D+01 -0.170966D+01  0.148703D+01
                66            67            68            69            70 
      1   0.100680D+01  0.388639D+01 -0.195388D+02 -0.103785D+01  0.337379D+01
      2  -0.524245D+00 -0.865459D+01  0.265153D+02  0.916674D+00 -0.274540D+01
      3  -0.482559D+00  0.476820D+01 -0.697656D+01  0.121178D+00 -0.628395D+00
      4  -0.221768D+00  0.139359D+02 -0.193295D+02 -0.703683D+00  0.714083D+00
      5   0.100906D+01 -0.649823D+00 -0.622514D+00 -0.228650D+01  0.187800D+00
      6  -0.862050D+00  0.164303D+01 -0.208645D+01  0.434244D+01 -0.191908D+01
                71            72            73            74            75 
      1  -0.330662D+01 -0.260578D+01  0.874518D+00 -0.513387D+01 -0.204234D+01
      2   0.330984D+01  0.296658D+01  0.537114D+01  0.104106D+02  0.167171D+01
      3  -0.322063D-02 -0.360800D+00 -0.624565D+01 -0.527671D+01  0.370633D+00
      4  -0.223456D+01 -0.111262D+01  0.220997D+02  0.206928D+02  0.572309D+01
      5  -0.138507D+00 -0.155334D+00  0.846883D+01  0.601876D+01  0.504887D+01
      6   0.186357D+01  0.106614D+01  0.763057D+01  0.761562D+01  0.465841D+01
                76            77            78            79            80 
      1  -0.985979D+01 -0.209768D+02 -0.662724D+01 -0.748557D+00 -0.429758D+01
      2   0.162792D+02  0.298173D+02  0.574494D+01  0.388334D+01  0.511823D+01
      3  -0.641946D+01 -0.884052D+01  0.882302D+00 -0.313478D+01 -0.820651D+00
      4   0.235652D+02  0.294518D+02  0.713680D+01  0.713587D+01  0.690686D+01
      5   0.672247D+01  0.742290D+01  0.504215D+01  0.220122D+01  0.362247D+01
      6   0.102795D+02  0.146042D+02  0.887411D+01  0.163498D+01  0.558383D+01
                81            82            83            84            85 
      1  -0.207218D+01 -0.529846D+01  0.971598D+01  0.105269D+01  0.825406D+01
      2   0.242228D+01  0.812761D+01 -0.142522D+02 -0.114379D+01 -0.104697D+02
      3  -0.350098D+00 -0.282915D+01  0.453618D+01  0.910956D-01  0.221561D+01
      4   0.446247D+01 -0.748376D+01  0.150170D+02  0.217797D+01  0.922179D+01
      5   0.235413D+01 -0.254979D+01  0.374036D+01  0.267688D+01  0.245860D+01
      6   0.340309D+01  0.260970D+01 -0.358434D+01 -0.256450D+01 -0.356997D+01
                86            87            88            89            90 
      1  -0.453135D+02 -0.789872D+01  0.877112D+00 -0.654882D+01 -0.276661D+01
      2   0.590351D+02  0.737264D+01 -0.146161D+01  0.737912D+01  0.284519D+01
      3  -0.137216D+02  0.526081D+00  0.584502D+00 -0.830305D+00 -0.785874D-01
      4  -0.206992D+02 -0.322122D+01  0.165890D+01 -0.118712D+01 -0.233436D+01
      5  -0.648141D+01 -0.266870D+01  0.147924D+01 -0.260765D+01 -0.762666D+00
      6   0.158356D+02  0.916374D+01 -0.301231D+00  0.597095D+01  0.252945D+01
                91            92            93            94            95 
      1  -0.415665D+02 -0.180885D+02  0.126280D+02 -0.103038D+02 -0.283271D+01
      2   0.343357D+02  0.154876D+02 -0.665424D+01  0.115942D+02  0.302132D+01
      3   0.723077D+01  0.260090D+01 -0.597377D+01 -0.129042D+01 -0.188605D+00
      4  -0.218311D+02 -0.148795D+02  0.278158D+01 -0.251018D+02  0.115348D+02
      5   0.160356D+02  0.228741D+01 -0.230944D+02 -0.211805D+01 -0.261831D+02
      6   0.288184D+01 -0.508468D+01 -0.472448D+00 -0.704907D+01  0.172284D+01
                96            97            98            99           100 
      1  -0.322093D+01  0.360243D+02  0.663774D+01 -0.184035D+02 -0.651939D+02
      2   0.680402D+01 -0.256258D+02  0.148069D+00  0.133771D+02  0.378159D+02
      3  -0.358309D+01 -0.103985D+02 -0.678581D+01  0.502640D+01  0.273781D+02
      4  -0.268905D+02  0.777778D+01 -0.203841D+02 -0.155470D+02  0.210048D+02
      5  -0.673606D+01 -0.430078D+02 -0.160809D+02 -0.317033D+01 -0.303511D+02
      6  -0.950320D+01 -0.913956D+01 -0.323333D+01 -0.745745D+01  0.405698D+01
               101           102           103           104           105 
      1   0.212695D+02 -0.286800D+02 -0.291465D+01  0.102440D+02 -0.279552D+01
      2  -0.150146D+02  0.904669D+01 -0.235388D+01 -0.698942D+01 -0.144479D+02
      3  -0.625484D+01  0.196334D+02  0.526853D+01 -0.325454D+01  0.172435D+02
      4   0.166728D+02 -0.456626D+01  0.211929D+02 -0.139118D+02  0.261396D+02
      5  -0.558060D+01  0.201384D+02 -0.792717D+01  0.263156D+02  0.928209D+01
      6   0.633307D+01 -0.122271D+02  0.907118D+01 -0.108059D+02 -0.413677D+01
               106           107           108           109           110 
      1  -0.199917D+02 -0.756792D+01  0.356829D+02 -0.960292D+02 -0.188492D+02
      2   0.100919D+02 -0.109929D+02 -0.165508D+02  0.360767D+02  0.518204D+00
      3   0.989977D+01  0.185609D+02 -0.191321D+02  0.599526D+02  0.183310D+02
      4  -0.638908D+01  0.164759D+02  0.162805D+02 -0.359310D+02 -0.276175D+02
      5   0.118416D+02  0.200938D+02 -0.124353D+02  0.168231D+02  0.827341D+01
      6  -0.600372D+01 -0.970613D+01  0.150483D+02  0.186411D+01  0.216040D+01
               111           112           113           114           115 
      1   0.105607D+02 -0.207076D+02 -0.103384D+02  0.427034D+01 -0.543311D+02
      2  -0.217205D+01  0.445014D+01  0.558348D+01 -0.974357D+00  0.403212D+02
      3  -0.838869D+01  0.162575D+02  0.475488D+01 -0.329598D+01  0.140099D+02
      4   0.631777D+01  0.646681D+01 -0.132618D+02  0.283152D+01 -0.859711D+01
      5  -0.105876D+02  0.517791D+01  0.380249D+01 -0.220611D+01  0.415646D+02
      6  -0.284354D+01  0.479130D+01  0.609277D+00  0.325301D+01  0.123454D+02
               116           117           118           119           120 
      1  -0.557129D+01  0.317606D+02  0.120855D+02  0.811761D+01  0.575377D+01
      2   0.593398D+01 -0.106851D+02 -0.960243D+01 -0.589317D+01 -0.529436D+01
      3  -0.362698D+00 -0.210755D+02 -0.248305D+01 -0.222444D+01 -0.459407D+00
      4   0.873990D+00  0.804802D+01  0.151504D+02  0.119829D+02  0.501446D+01
      5   0.791473D+01 -0.246292D+01  0.151400D+02  0.588335D+01  0.163307D+02
      6  -0.124696D+01  0.810191D+00  0.573932D+01  0.293664D+01  0.331694D+01
               121           122           123           124           125 
      1   0.174756D+02  0.737238D+00 -0.500864D+00  0.741759D+01 -0.128472D+01
      2  -0.116610D+02 -0.721813D+00 -0.263090D+01 -0.836249D+01 -0.360707D+01
      3  -0.581456D+01 -0.154256D-01  0.313176D+01  0.944908D+00  0.489179D+01
      4   0.164992D+02  0.194250D+02  0.163665D+02  0.682733D+01  0.161056D+02
      5   0.124092D+02  0.165649D+02  0.155355D+02  0.236781D+02  0.141805D+02
      6   0.511902D+01  0.970871D+01  0.101752D+02  0.581831D+01  0.866315D+01
               126           127           128           129           130 
      1  -0.531743D+00 -0.553514D+01 -0.103976D+02  0.202228D+02 -0.947973D+00
      2  -0.102389D+02  0.207843D+00  0.609627D+01 -0.473086D+01  0.154265D+00
      3   0.107706D+02  0.532729D+01  0.430132D+01 -0.154919D+02  0.793708D+00
      4   0.143605D+02  0.330301D+00 -0.645198D+01  0.281332D+01  0.912393D+00
      5   0.293758D+02  0.457996D+01  0.479115D+01 -0.947255D+01 -0.872527D+00
      6   0.996890D+01 -0.353712D+01 -0.642622D+01  0.104430D+02 -0.129861D+01
               131           132           133           134           135 
      1  -0.122055D+02  0.111488D+02  0.118243D+02  0.138771D+02 -0.366872D+02
      2   0.739068D+01 -0.429901D+01 -0.485297D+01 -0.350361D+01 -0.928297D+00
      3   0.481481D+01 -0.684974D+01 -0.697133D+01 -0.103735D+02  0.376155D+02
      4  -0.741229D+01  0.611947D+01 -0.704955D+01  0.124411D+02 -0.152733D+02
      5   0.590830D+01 -0.983442D+01  0.599842D+01 -0.179646D+02  0.406469D+02
      6  -0.908540D+01  0.135335D+02 -0.101590D+00  0.163502D+02 -0.284459D+02
               136           137           138           139           140 
      1   0.253265D+01 -0.763721D+01 -0.107128D+01 -0.652207D+01 -0.133122D+02
      2   0.939826D+00  0.613843D+01  0.206824D+01  0.105550D+01  0.266590D+02
      3  -0.347248D+01  0.149878D+01 -0.996955D+00  0.546657D+01 -0.133468D+02
      4  -0.380058D+01 -0.178269D+01  0.157006D+01  0.919189D+01 -0.292157D+02
      5  -0.194549D+01 -0.378579D-01 -0.338321D+01 -0.245963D+00 -0.124846D+02
      6   0.161713D+01 -0.812304D+00  0.255412D+01 -0.460002D+00  0.382016D+01
               141           142           143           144           145 
      1  -0.425037D+01 -0.595474D+01 -0.403367D+01 -0.887489D+01  0.104826D+03
      2   0.116744D+02  0.146958D+01  0.140051D+02  0.101961D+02 -0.556129D+02
      3  -0.742404D+01  0.448517D+01 -0.997144D+01 -0.132117D+01 -0.492131D+02
      4  -0.112568D+02  0.100366D+02 -0.218999D+02 -0.109195D+02 -0.450600D+02
      5  -0.124085D+02 -0.352294D+00 -0.120498D+02 -0.150848D+02  0.401475D+02
      6   0.767801D+01  0.337588D+00  0.644622D+01  0.716969D+01 -0.913802D+01
               146           147           148           149           150 
      1  -0.158391D+02  0.160012D+02 -0.370614D+01  0.760391D+01  0.147155D+00
      2   0.514023D+01 -0.111720D+02 -0.138631D+01 -0.234150D+01  0.294965D+00
      3   0.106989D+02 -0.482914D+01  0.509244D+01 -0.526241D+01 -0.442120D+00
      4   0.203399D+02 -0.891326D+01  0.127720D+02 -0.461838D+01 -0.663037D-01
      5  -0.820215D+01  0.192034D+02  0.823257D-01  0.140222D+01 -0.156961D+00
      6   0.458481D+01 -0.492570D+01  0.295396D+01 -0.191108D+00  0.192021D+01
               151           152           153           154           155 
      1   0.109416D+02 -0.647013D+00  0.689204D+01  0.196874D+03  0.335707D+02
      2  -0.897530D+01  0.221595D+01 -0.604821D+01 -0.897445D+02 -0.942346D+01
      3  -0.196634D+01 -0.156894D+01 -0.843838D+00 -0.107129D+03 -0.241473D+02
      4  -0.380213D+01  0.626331D-01 -0.577490D+01  0.543259D+02  0.485428D+02
      5   0.180166D+02 -0.485926D+01  0.103498D+02 -0.360583D+02 -0.102633D+02
      6  -0.390744D+01  0.294057D+01 -0.334537D+01 -0.134864D+01 -0.407901D+01
               156           157           158           159           160 
      1  -0.100827D+02  0.307225D+02  0.350378D+02 -0.427892D+00 -0.905082D+01
      2   0.976729D+01 -0.583206D+01 -0.817379D+01  0.688550D+00  0.906855D+01
      3   0.315453D+00 -0.248904D+02 -0.268640D+02 -0.260658D+00 -0.177270D-01
      4  -0.769416D+01  0.556664D+02  0.382091D+02 -0.488926D+01 -0.565770D+01
      5   0.404685D+02 -0.602415D+01 -0.865551D+01  0.918218D+01  0.374129D+02
      6   0.348005D+01 -0.904720D+01 -0.481043D+01  0.616297D+01  0.437759D+01
               161           162           163           164           165 
      1  -0.103796D+01  0.205968D+02  0.680019D+02  0.117593D+02 -0.203697D+02
      2   0.113772D+01 -0.138763D+02 -0.451975D+02 -0.527033D+01  0.131005D+02
      3  -0.997612D-01 -0.672053D+01 -0.228044D+02 -0.648899D+01  0.726921D+01
      4  -0.308955D+01  0.865930D+01  0.197468D+02  0.817267D+01 -0.152341D+01
      5   0.876895D+01 -0.980962D+01 -0.400336D+02 -0.186651D+01  0.213242D+02
      6   0.552793D+01 -0.223446D+01 -0.682318D+01 -0.987794D+00  0.110910D+01
               166           167           168           169           170 
      1   0.186760D+02 -0.887751D+01  0.106730D+01  0.114580D+02  0.442514D+01
      2  -0.109505D+02  0.239016D+01 -0.969021D+00 -0.338240D+01 -0.272005D+01
      3  -0.772548D+01  0.648735D+01 -0.982817D-01 -0.807564D+01 -0.170509D+01
      4   0.633379D+01 -0.132784D+01 -0.948726D+01  0.432922D+01 -0.413672D+01
      5  -0.750830D+01 -0.912829D+01  0.144249D+01  0.100120D+02  0.265322D+00
      6  -0.338443D+01 -0.221247D+01  0.118700D+02 -0.191512D+01  0.979514D+01
               171           172           173           174           175 
      1  -0.356090D+02 -0.564661D+02 -0.538147D+01 -0.233490D+01 -0.141012D+02
      2  -0.102087D+02  0.352641D+02  0.316824D+01 -0.835125D+01  0.100572D+02
      3   0.458177D+02  0.212020D+02  0.221322D+01  0.106862D+02  0.404397D+01
      4  -0.209346D+01 -0.128352D+02 -0.476379D+01  0.121287D+01 -0.193032D+01
      5  -0.384671D+02  0.296216D+02  0.182441D+01 -0.190029D+02  0.692846D+01
      6  -0.209438D+01  0.526179D+01  0.331903D+01 -0.155215D+01  0.171350D+01
               176           177           178           179           180 
      1  -0.472043D+01 -0.292251D+00  0.171275D+02  0.223718D+01 -0.105927D+02
      2   0.270407D+01 -0.265216D+01 -0.159061D+02 -0.194911D+01  0.599998D+01
      3   0.201636D+01  0.294441D+01 -0.122148D+01 -0.288071D+00  0.459272D+01
      4  -0.824133D+00 -0.234533D+01  0.638786D+01  0.941751D+00 -0.209164D+01
      5  -0.191189D+01 -0.529626D+01 -0.156913D+02 -0.120174D+01  0.509404D+01
      6   0.135580D+01  0.239367D+01 -0.234951D+01  0.538393D+00  0.161326D+01
               181           182           183           184           185 
      1   0.335166D+02 -0.477098D+02 -0.569107D+01  0.416989D+02  0.168591D+02
      2  -0.159788D+02  0.393719D+02  0.282392D+01 -0.296001D+02 -0.184598D+02
      3  -0.175378D+02  0.833795D+01  0.286715D+01 -0.120988D+02  0.160064D+01
      4  -0.519026D+01  0.348757D+02 -0.106944D+01  0.640848D+01 -0.281044D+02
      5  -0.747559D+01 -0.290090D+01  0.870507D+01 -0.278171D+01 -0.112505D+02
      6  -0.658324D+01  0.416175D-02  0.701040D+01 -0.730810D+01 -0.905256D+01
               186           187           188           189           190 
      1   0.470142D+01  0.557398D+01 -0.708104D+01  0.188851D+01  0.105536D+03
      2  -0.560021D+01 -0.133936D+02 -0.164445D+01 -0.739851D+01 -0.555868D+02
      3   0.898793D+00  0.781959D+01  0.872548D+01  0.551000D+01 -0.499488D+02
      4  -0.974193D+01 -0.111563D+02 -0.105443D+02  0.209035D+02  0.215722D+01
      5   0.410374D+01  0.303783D+02  0.180522D+02  0.112370D+02 -0.116364D+01
      6   0.130303D+01  0.212534D+02  0.133886D+02  0.592531D+01 -0.227635D+01
               191           192           193           194           195 
      1   0.874843D+01  0.844276D+01  0.622168D+02 -0.383727D+02 -0.507719D+01
      2   0.371841D+01 -0.163766D+01 -0.251156D+02  0.392187D+02  0.960436D+01
      3  -0.124668D+02 -0.680510D+01 -0.371012D+02 -0.846001D+00 -0.452716D+01
      4   0.153719D+02  0.238920D+01 -0.412793D+02  0.537748D+02  0.359021D+01
      5   0.335629D+01  0.129319D+01 -0.105839D+02  0.798137D+01  0.315237D+01
      6   0.263498D+00  0.298559D+01 -0.343395D+01  0.752917D+01 -0.314324D+01
               196           197           198           199           200 
      1   0.119761D+02 -0.113271D+02  0.228642D+02 -0.110519D+03  0.159136D+02
      2  -0.679169D+01  0.105025D+02 -0.197358D+02  0.456919D+02 -0.163668D+02
      3  -0.518441D+01  0.824634D+00 -0.312836D+01  0.648269D+02  0.453277D+00
      4  -0.164105D+02  0.917811D+01  0.270909D+01  0.237413D+02 -0.261525D+02
      5   0.473249D+02  0.880805D+01  0.789639D+01 -0.782536D+01 -0.266621D+01
      6   0.175910D+01  0.509305D+01 -0.286429D+01  0.175315D+01 -0.360850D+01
               201           202           203           204           205 
      1  -0.673234D+01 -0.933559D+02  0.139621D+02 -0.273923D+01 -0.290004D+02
      2   0.219363D+01  0.560106D+02 -0.207983D+02 -0.664857D+00  0.171864D+02
      3   0.453871D+01  0.373453D+02  0.683613D+01  0.340409D+01  0.118140D+02
      4  -0.588620D+00  0.233830D+02 -0.187766D+02  0.384555D+01  0.920543D+01
      5   0.623382D+01 -0.263536D+01  0.202993D+01 -0.889439D+01  0.366793D+01
      6  -0.118901D+01  0.619072D+01 -0.715052D+01  0.590549D+01 -0.230349D+01
               206           207           208           209           210 
      1   0.107251D+02 -0.143355D+02  0.350887D+02  0.675598D+01  0.162855D+01
      2  -0.104982D+02 -0.232300D+01 -0.214614D+02 -0.543606D+01 -0.285324D+01
      3  -0.226930D+00  0.166585D+02 -0.136273D+02 -0.131992D+01  0.122468D+01
      4  -0.174325D+00 -0.172306D+02  0.148409D+02  0.963582D+01 -0.108188D+01
      5  -0.217554D+02 -0.116444D+02  0.822679D+01 -0.175336D+01  0.221314D+02
      6   0.854062D+01 -0.103587D+01  0.368271D+00  0.202318D+01 -0.291174D+01
               211           212           213           214           215 
      1   0.892623D+01  0.606603D+01  0.413004D+01  0.213398D+01 -0.102588D+00
      2  -0.467597D+01 -0.254208D+01 -0.471195D+01 -0.347027D+01 -0.182340D+01
      3  -0.425026D+01 -0.352396D+01  0.581907D+00  0.133630D+01  0.192599D+01
      4   0.334972D+02  0.174052D+02  0.641108D+01  0.424009D+01  0.149997D+01
      5   0.614383D+01  0.438096D+01 -0.131647D+02  0.147719D+02  0.598035D+01
      6   0.959060D+00 -0.148845D+01  0.104828D+02  0.171421D+01  0.379698D+01
               216           217           218           219           220 
      1   0.448080D+01 -0.804312D+02 -0.883876D+01 -0.168606D+02 -0.186560D+02
      2  -0.436977D+01  0.467905D+02  0.131899D+01  0.101514D+02  0.721374D+01
      3  -0.111028D+00  0.336408D+02  0.751977D+01  0.670920D+01  0.114423D+02
      4   0.721008D+01 -0.154802D+02  0.264546D+02 -0.402457D+01 -0.737902D+01
      5   0.444465D+01 -0.163844D+02 -0.428491D+01  0.100990D+02 -0.903449D+01
      6   0.258250D+01  0.690125D+00  0.320949D+01 -0.400819D+01 -0.169098D+00
               221           222           223           224           225 
      1   0.166673D+02 -0.153014D+02 -0.130578D+02 -0.102917D+02  0.117418D+02
      2  -0.982397D+01  0.120531D+02  0.431600D+01  0.886884D+01 -0.962368D+01
      3  -0.684333D+01  0.324837D+01  0.874184D+01  0.142290D+01 -0.211811D+01
      4   0.549995D+01 -0.154078D+02 -0.767668D+01 -0.857316D+01  0.375915D+02
      5  -0.150277D+02  0.597510D+02 -0.174985D+02  0.381891D+02  0.292986D+02
      6   0.767673D+01 -0.222111D+02  0.106912D+02 -0.157556D+02 -0.567370D+01
               226           227           228           229           230 
      1  -0.744328D+01  0.170399D+02  0.162660D+01  0.780317D+01 -0.529092D+02
      2   0.883977D+01 -0.191302D+02 -0.161603D+01 -0.859052D+01  0.668433D+02
      3  -0.139649D+01  0.209028D+01 -0.105677D-01  0.787350D+00 -0.139341D+02
      4  -0.209503D+01  0.526563D+01  0.795485D+00  0.265467D+01  0.128983D+02
      5  -0.788039D+00  0.137613D+01  0.109817D+01  0.242648D+00 -0.701349D+00
      6   0.802958D+00 -0.135748D+01 -0.233931D+01 -0.144623D+01  0.803044D+01
               231           232           233           234           235 
      1  -0.752158D+01  0.155679D+00 -0.688632D+01 -0.221297D+01  0.259076D+02
      2   0.745508D+01 -0.747092D+00  0.805777D+01  0.280184D+01 -0.320491D+01
      3   0.664977D-01  0.591413D+00 -0.117145D+01 -0.588862D+00 -0.227026D+02
      4   0.151784D+01 -0.102926D+00  0.268095D+01 -0.665943D+00  0.452601D+02
      5   0.128343D+01  0.205927D+01 -0.370697D+00  0.201394D+00  0.106148D+02
      6   0.799012D+01  0.297918D+00  0.467059D+01  0.189294D+01  0.649521D+01
               236           237           238           239           240 
      1   0.142121D+02  0.443829D+01  0.115604D+02  0.235011D+01  0.754343D+00
      2   0.352837D+01 -0.940423D+00  0.102033D+02  0.216792D+02  0.291036D+01
      3  -0.177404D+02 -0.349787D+01 -0.217637D+02 -0.240294D+02 -0.366470D+01
      4   0.392014D+02  0.100199D+02  0.466748D+02  0.571575D+02  0.126046D+02
      5   0.771260D+01  0.785981D+01  0.961065D+01  0.964224D+01  0.861404D+01
      6   0.552614D+01  0.475942D+01  0.804882D+01  0.987000D+01  0.778311D+01
               241           242           243           244           245 
      1   0.532125D+01  0.179431D+01 -0.379663D+00  0.127486D+02 -0.107904D+02
      2   0.131009D+01  0.303254D+01  0.185859D+01 -0.395128D+01  0.300786D+01
      3  -0.663134D+01 -0.482685D+01 -0.147893D+01 -0.879731D+01  0.778249D+01
      4   0.134750D+02  0.134081D+02  0.711061D+01 -0.186587D+02  0.150907D+02
      5   0.294423D+01  0.527616D+01  0.376901D+01 -0.207036D+01  0.123842D+01
      6   0.154075D+01  0.516225D+01  0.308215D+01  0.388924D+00 -0.291768D-01
               246           247           248           249           250 
      1  -0.537055D+00 -0.118024D+02 -0.331626D+01 -0.106597D+01 -0.603940D+00
      2   0.120250D+00 -0.763810D+00  0.159397D+02  0.903932D+00 -0.177725D+00
      3   0.416805D+00  0.125662D+02 -0.126234D+02  0.162034D+00  0.781665D+00
      4   0.619603D+00  0.262708D+02 -0.388753D+02 -0.405469D+01  0.252102D+01
      5   0.140712D+01  0.360978D+01 -0.656163D+01 -0.475668D+01  0.100632D+01
      6  -0.650910D+00 -0.154396D+01  0.324512D+01  0.424002D+01 -0.198703D+01
               251           252           253           254           255 
      1  -0.179882D+01 -0.173871D+01  0.204721D+03 -0.319076D+01  0.179916D+02
      2   0.236128D+01  0.215593D+01 -0.107513D+03 -0.168742D+00 -0.104256D+02
      3  -0.562460D+00 -0.417228D+00 -0.972083D+02  0.335950D+01 -0.756601D+01
      4  -0.526801D+01 -0.110161D+01 -0.205507D+02  0.150732D+02 -0.182088D+01
      5  -0.407680D+00 -0.678740D+00  0.203570D+02 -0.381790D+00  0.186021D+02
      6   0.192829D+01  0.119175D+01 -0.327688D+01  0.707650D+00 -0.235379D+01
               256           257           258           259           260 
      1   0.228267D+02  0.149121D+02  0.271893D+01  0.228972D+02  0.472280D+00
      2  -0.142854D+02 -0.756640D+01 -0.212453D+01 -0.134829D+02 -0.924955D+00
      3  -0.854129D+01 -0.734570D+01 -0.594396D+00 -0.941430D+01  0.452675D+00
      4   0.166547D+02  0.384104D+01  0.330676D+01 -0.269155D+01  0.374805D+01
      5   0.179692D+01  0.352788D+01  0.421374D+00  0.248275D+02 -0.346433D+01
      6   0.560380D+00 -0.514609D+00  0.167338D+01 -0.273117D+01  0.251054D+01
               261           262           263           264           265 
      1   0.168544D+02  0.626347D+01 -0.210096D+01 -0.941859D+01 -0.532348D+01
      2  -0.995810D+01 -0.364161D+01  0.176987D+01  0.380402D+01  0.574553D+00
      3  -0.689634D+01 -0.262187D+01  0.331092D+00  0.561457D+01  0.474893D+01
      4  -0.455103D+01  0.686005D+00 -0.203204D+01  0.389716D+01  0.190326D+02
      5   0.520533D+01 -0.904127D+01  0.271707D+01 -0.245019D+01  0.137400D+02
      6  -0.502536D+00  0.255384D+01 -0.587127D+00  0.216948D+01 -0.498976D+01
               266           267           268           269           270 
      1   0.232571D+01  0.358891D+01 -0.356245D+02  0.973078D+01  0.355525D+01
      2   0.247884D+01  0.658767D+00  0.201782D+02 -0.338559D+01 -0.781909D+01
      3  -0.480455D+01 -0.424768D+01  0.154464D+02 -0.634520D+01  0.426384D+01
      4  -0.200341D+02 -0.162561D+02  0.276795D+02 -0.219296D+02 -0.250909D+02
      5  -0.165321D+02 -0.236742D+02  0.362470D+02 -0.254986D+02 -0.635984D+02
      6   0.653268D+01  0.108803D+02 -0.111232D+02  0.109731D+02  0.175757D+02
               271           272           273           274           275 
      1  -0.641064D+01 -0.488515D+01  0.118025D+02 -0.102180D+02 -0.549780D+01
      2   0.294487D+01  0.458147D+01 -0.595148D+01  0.161604D+01  0.132919D+02
      3   0.346577D+01  0.303680D+00 -0.585105D+01  0.860200D+01 -0.779410D+01
      4   0.468284D+01 -0.788421D+01  0.318800D+01  0.251636D+02 -0.410913D+02
      5   0.578007D+01  0.396340D+01 -0.953658D+01 -0.110947D+02  0.250378D+02
      6  -0.111721D+01 -0.358789D+01  0.543107D+01  0.674725D+01 -0.149990D+02
               276           277           278           279 
      1   0.667512D+01  0.224589D+02  0.200490D+01 -0.822857D+01
      2  -0.812780D+01 -0.992651D+01 -0.426404D+01  0.212788D+01
      3   0.145268D+01 -0.125324D+02  0.225914D+01  0.610069D+01
      4   0.264242D+02 -0.190611D+02  0.263332D+02 -0.269075D+02
      5  -0.279306D+02  0.193584D+02 -0.266282D+02  0.337376D+02
      6   0.145107D+02 -0.887184D+01  0.144297D+02 -0.155676D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.227875D+01      0.579200D+01      0.193200D+02
   x          0.214228D+01      0.544512D+01      0.181630D+02
   y          0.125065D+00      0.317884D+00      0.106035D+01
   z         -0.766618D+00     -0.194855D+01     -0.649966D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182326D+03      0.270180D+02      0.300616D+02
   aniso      0.147518D+03      0.218599D+02      0.243225D+02
   xx         0.274092D+03      0.406162D+02      0.451916D+02
   yx         0.613465D+01      0.909062D+00      0.101147D+01
   yy         0.161835D+03      0.239815D+02      0.266830D+02
   zx         0.139700D+02      0.207014D+01      0.230334D+01
   zy         0.779260D+01      0.115474D+01      0.128483D+01
   zz         0.111053D+03      0.164563D+02      0.183101D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.200842D+03      0.297618D+02      0.331145D+02
   aniso      0.172376D+03      0.255436D+02      0.284210D+02
   xx         0.308454D+03      0.457082D+02      0.508573D+02
   yx         0.909802D+01      0.134819D+01      0.150006D+01
   yy         0.175250D+03      0.259694D+02      0.288949D+02
   zx         0.161332D+02      0.239070D+01      0.266001D+01
   zy         0.895681D+01      0.132726D+01      0.147678D+01
   zz         0.118823D+03      0.176077D+02      0.195912D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.12685746         -1.31864198          1.24471617
     6          0.28961202          1.18640270          2.20845754
     6         -1.03045716         -1.73988336         -1.12581829
     6         -2.01048435          0.21538267         -2.53535818
     6         -1.83584601          2.70109470         -1.55441997
     6         -0.73006870          3.17223862          0.73533207
     6          1.13518463         -3.31629389          2.71589218
     1         -1.14868957         -3.66645946         -1.80418757
     1         -2.59941070          4.25103246         -2.65278720
     1         -0.62565157          5.08788170          1.44896937
     6         -3.16271156         -0.15736282         -5.12498158
     6         -4.31525535         -2.77973976         -5.58603279
     6         -1.29571400          0.38002939         -7.28501530
     1         -4.65695844          1.24137457         -5.37682931
     1         -5.70687771         -3.21333965         -4.13034074
     1         -2.88109261         -4.26021749         -5.57352635
     1         -5.23822744         -2.81484303         -7.42436782
     8         -1.96739865          0.97098024         -9.36568904
     8          1.17929421          0.05245810         -6.75797406
     1          1.38111168         -0.30869714         -4.97097078
     6          2.24205273         -2.86040468          4.99913785
     6          2.40344850         -0.36307919          5.95212358
     6          1.44314596          1.62490745          4.58176569
     8          3.54546113         -0.15948329          8.23878017
     6          3.78285036          2.28111217          9.32026527
     1          1.01785064         -5.23028163          2.00022694
     1          3.01765608         -4.37383521          6.13294247
     1          1.54494658          3.54218531          5.27438836
     1          4.73840661          2.01479593         11.11879294
     1          1.93044529          3.13882722          9.64364443
     1          4.91195261          3.52534945          8.11673721

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.227875D+01      0.579200D+01      0.193200D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.227875D+01      0.579200D+01      0.193200D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182326D+03      0.270180D+02      0.300616D+02
   aniso      0.147518D+03      0.218599D+02      0.243225D+02
   xx         0.137999D+03      0.204493D+02      0.227529D+02
   yx        -0.503962D+01     -0.746794D+00     -0.830920D+00
   yy         0.162171D+03      0.240313D+02      0.267384D+02
   zx         0.629524D+02      0.932859D+01      0.103795D+02
   zy        -0.914512D+00     -0.135517D+00     -0.150783D+00
   zz         0.246810D+03      0.365734D+02      0.406934D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.200842D+03      0.297618D+02      0.331145D+02
   aniso      0.172376D+03      0.255436D+02      0.284210D+02
   xx         0.150043D+03      0.222341D+02      0.247387D+02
   yx        -0.653148D+01     -0.967865D+00     -0.107689D+01
   yy         0.175490D+03      0.260050D+02      0.289345D+02
   zx         0.730955D+02      0.108316D+02      0.120518D+02
   zy        -0.278420D+01     -0.412576D+00     -0.459053D+00
   zz         0.276994D+03      0.410463D+02      0.456702D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-06\Freq\RB3LYP\Gen\C14H14O3\PIERPA\17-Aug-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,0.615023,0.729781,-0.120185\C,1.174818,-0.568179,-0.28354
 2\C,-0.780302,0.906987,-0.261681\C,-1.61722,-0.146278,-0.555082\C,-1.0
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 IN THE UNIVERSE THE DIFFICULT THINGS ARE DONE AS IF THEY WERE EASY.

                                                          -- LAO-TSU
 Job cpu time:       0 days 12 hours 18 minutes 56.7 seconds.
 Elapsed time:       0 days  1 hours 32 minutes 30.9 seconds.
 File lengths (MBytes):  RWF=    649 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Tue Aug 17 19:45:33 2021.
